[{"page":"214-229","date_created":"2024-01-17T12:48:35Z","date_published":"2024-01-08T00:00:00Z","doi":"10.1021/acsaem.3c02519","year":"2024","isi":1,"publication":"ACS Applied Energy Materials","day":"08","quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"This work was supported by the Technology Innovation Program (20011622, Development of Battery System Applied High-Efficiency Heat Control Polymer and Part Component) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). Author acknowledge to Prof. Tsunehiro Takeuchi from Toyota Technological Institute, Nagoya, Japan for the support of computational resources.","article_processing_charge":"No","external_id":{"isi":["001138342900001"]},"author":[{"first_name":"Gundegowda Kalligowdanadoddi","last_name":"Kiran","full_name":"Kiran, Gundegowda Kalligowdanadoddi"},{"id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","first_name":"Saurabh","last_name":"Singh","full_name":"Singh, Saurabh","orcid":"0000-0003-2209-5269"},{"first_name":"Neelima","last_name":"Mahato","full_name":"Mahato, Neelima"},{"first_name":"Thupakula Venkata Madhukar","full_name":"Sreekanth, Thupakula Venkata Madhukar","last_name":"Sreekanth"},{"last_name":"Dillip","full_name":"Dillip, Gowra Raghupathy","first_name":"Gowra Raghupathy"},{"last_name":"Yoo","full_name":"Yoo, Kisoo","first_name":"Kisoo"},{"first_name":"Jonghoon","last_name":"Kim","full_name":"Kim, Jonghoon"}],"title":"Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity","citation":{"ista":"Kiran GK, Singh S, Mahato N, Sreekanth TVM, Dillip GR, Yoo K, Kim J. 2024. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 7(1), 214–229.","chicago":"Kiran, Gundegowda Kalligowdanadoddi, Saurabh Singh, Neelima Mahato, Thupakula Venkata Madhukar Sreekanth, Gowra Raghupathy Dillip, Kisoo Yoo, and Jonghoon Kim. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials. American Chemical Society, 2024. https://doi.org/10.1021/acsaem.3c02519.","short":"G.K. Kiran, S. Singh, N. Mahato, T.V.M. Sreekanth, G.R. Dillip, K. Yoo, J. Kim, ACS Applied Energy Materials 7 (2024) 214–229.","ieee":"G. K. Kiran et al., “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” ACS Applied Energy Materials, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024.","ama":"Kiran GK, Singh S, Mahato N, et al. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 2024;7(1):214-229. doi:10.1021/acsaem.3c02519","apa":"Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., & Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.3c02519","mla":"Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:10.1021/acsaem.3c02519."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":7,"issue":"1","publication_status":"published","publication_identifier":{"issn":["2574-0962"]},"language":[{"iso":"eng"}],"scopus_import":"1","intvolume":" 7","month":"01","abstract":[{"text":"Production of hydrogen at large scale requires development of non-noble, inexpensive, and high-performing catalysts for constructing water-splitting devices. Herein, we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and calcination at an elevated temperature of 400 °C for 5 h under three distinct conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1 suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions (HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and shows remarkable stability over 24 h at a high current density of 100 mA cm–2. It is also demonstrated in this study that Zn-doping, surface, and interface engineering in transition-metal oxides play a crucial role in efficient electrocatalytic water splitting. Also, the results obtained from density functional theory (DFT + U = 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard U, based electronic structure calculations confirm that Zn doping constructively modifies the electronic structure, in both the valence band and the conduction band, and found to be suitable in tailoring the carrier’s effective masses of electrons and holes. The decrease in electron’s effective masses together with large differences between the effective masses of electrons and holes is noticed, which is found to be mainly responsible for achieving the best water-splitting performance from a 9% Zn-doped NiO sample prepared under vacuum.","lang":"eng"}],"oa_version":"None","department":[{"_id":"MaIb"}],"date_updated":"2024-01-22T13:47:39Z","article_type":"original","type":"journal_article","keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"status":"public","_id":"14828"},{"department":[{"_id":"MaIb"}],"date_updated":"2024-03-19T08:47:42Z","status":"public","type":"journal_article","article_type":"original","_id":"15114","volume":291,"language":[{"iso":"eng"}],"publication_identifier":{"issn":["0009-2509"]},"publication_status":"epub_ahead","month":"03","intvolume":" 291","scopus_import":"1","oa_version":"None","abstract":[{"lang":"eng","text":"As a key liquid organic hydrogen carrier, investigating the decomposition of formic acid (HCOOH) on the Pd (1 1 1) transition metal surface is imperative for harnessing hydrogen energy. Despite a multitude of studies, the major mechanisms and key intermediates involved in the dehydrogenation process of formic acid remain a great topic of debate due to ambiguous adsorbate interactions. In this research, we develop an advanced microkinetic model based on first-principles calculations, accounting for adsorbate–adsorbate interactions. Our study unveils a comprehensive mechanism for the Pd (1 1 1) surface, highlighting the significance of coverage effects in formic acid dehydrogenation. Our findings unequivocally demonstrate that H coverage on the Pd (1 1 1) surface renders formic acid more susceptible to decompose into H2 and CO2 through COOH intermediates. Consistent with experimental results, the selectivity of H2 in the decomposition of formic acid on the Pd (1 1 1) surface approaches 100 %. Considering the influence of H coverage, our kinetic analysis aligns perfectly with experimental values at a temperature of 373 K."}],"title":"Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling","author":[{"last_name":"Yao","full_name":"Yao, Zihao","first_name":"Zihao"},{"first_name":"Xu","full_name":"Liu, Xu","last_name":"Liu"},{"last_name":"Bunting","orcid":"0000-0001-6928-074X","full_name":"Bunting, Rhys","id":"91deeae8-1207-11ec-b130-c194ad5b50c6","first_name":"Rhys"},{"first_name":"Jianguo","full_name":"Wang, Jianguo","last_name":"Wang"}],"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"chicago":"Yao, Zihao, Xu Liu, Rhys Bunting, and Jianguo Wang. “Unravelling the Reaction Mechanism for H2 Production via Formic Acid Decomposition over Pd: Coverage-Dependent Microkinetic Modeling.” Chemical Engineering Science. Elsevier, 2024. https://doi.org/10.1016/j.ces.2024.119959.","ista":"Yao Z, Liu X, Bunting R, Wang J. 2024. Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling. Chemical Engineering Science. 291, 119959.","mla":"Yao, Zihao, et al. “Unravelling the Reaction Mechanism for H2 Production via Formic Acid Decomposition over Pd: Coverage-Dependent Microkinetic Modeling.” Chemical Engineering Science, vol. 291, 119959, Elsevier, 2024, doi:10.1016/j.ces.2024.119959.","short":"Z. Yao, X. Liu, R. Bunting, J. Wang, Chemical Engineering Science 291 (2024).","ieee":"Z. Yao, X. Liu, R. Bunting, and J. Wang, “Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling,” Chemical Engineering Science, vol. 291. Elsevier, 2024.","apa":"Yao, Z., Liu, X., Bunting, R., & Wang, J. (2024). Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling. Chemical Engineering Science. Elsevier. https://doi.org/10.1016/j.ces.2024.119959","ama":"Yao Z, Liu X, Bunting R, Wang J. Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling. Chemical Engineering Science. 2024;291. doi:10.1016/j.ces.2024.119959"},"article_number":"119959","date_published":"2024-03-04T00:00:00Z","doi":"10.1016/j.ces.2024.119959","date_created":"2024-03-17T23:00:57Z","day":"04","publication":"Chemical Engineering Science","year":"2024","quality_controlled":"1","publisher":"Elsevier","acknowledgement":"The authors acknowledge the financial support from the National Key Research and Development Project of China (2021YFA1500900, 2022YFE0113800), the National Natural Science Foundation of China (22141001, U21A20298), Zhejiang Innovation Team (2017R5203)."},{"date_published":"2024-03-13T00:00:00Z","doi":"10.1002/aenm.202400408","date_created":"2024-03-25T08:57:40Z","day":"13","publication":"Advanced Energy Materials","year":"2024","quality_controlled":"1","publisher":"Wiley","oa":1,"acknowledgement":"This work was supported by the Scientific Service Units (SSU) of ISTA through resources provided by the Electron Microscopy Facility (EMF), the Lab Support Facility (LSF), and the Nanofabrication Facility (NNF). This work was financially supported by ISTA and the Werner Siemens Foundation. The USTEM Service Unit of the Technical University of Vienna is acknowledged for EBSD sample preparation and analysis. R.L.B. acknowledges the National Science Foundation for funding the mass spectrometry analysis under award DMR 1904719. J.L. is a Serra Húnter Fellow and is grateful to the ICREA Academia program and projects MICINN/FEDER PID2021-124572OB-C31 and GC 2021 SGR 01061.","title":"A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se","author":[{"last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"first_name":"Francesco","id":"38b830db-ea88-11ee-bf9b-929beaf79054","full_name":"Milillo, Francesco","last_name":"Milillo"},{"last_name":"Calcabrini","full_name":"Calcabrini, Mariano","orcid":"0000-0003-4566-5877","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano"},{"id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","first_name":"Christine","last_name":"Fiedler","full_name":"Fiedler, Christine"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","first_name":"Sharona","full_name":"Horta, Sharona","last_name":"Horta"},{"first_name":"Daniel","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E","orcid":"0000-0001-7597-043X","full_name":"Balazs, Daniel","last_name":"Balazs"},{"first_name":"Marissa J.","last_name":"Strumolo","full_name":"Strumolo, Marissa J."},{"first_name":"Roger","full_name":"Hasler, Roger","last_name":"Hasler"},{"full_name":"Llorca, Jordi","last_name":"Llorca","first_name":"Jordi"},{"first_name":"Michael","last_name":"Tkadletz","full_name":"Tkadletz, Michael"},{"last_name":"Brutchey","full_name":"Brutchey, Richard L.","first_name":"Richard L."},{"last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"article_processing_charge":"Yes (via OA deal)","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"mla":"Kleinhanns, Tobias, et al. “A Route to High Thermoelectric Performance: Solution‐based Control of Microstructure and Composition in Ag2Se.” Advanced Energy Materials, 2400408, Wiley, 2024, doi:10.1002/aenm.202400408.","short":"T. Kleinhanns, F. Milillo, M. Calcabrini, C. Fiedler, S. Horta, D. Balazs, M.J. Strumolo, R. Hasler, J. Llorca, M. Tkadletz, R.L. Brutchey, M. Ibáñez, Advanced Energy Materials (2024).","ieee":"T. Kleinhanns et al., “A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se,” Advanced Energy Materials. Wiley, 2024.","apa":"Kleinhanns, T., Milillo, F., Calcabrini, M., Fiedler, C., Horta, S., Balazs, D., … Ibáñez, M. (2024). A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se. Advanced Energy Materials. Wiley. https://doi.org/10.1002/aenm.202400408","ama":"Kleinhanns T, Milillo F, Calcabrini M, et al. A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se. Advanced Energy Materials. 2024. doi:10.1002/aenm.202400408","chicago":"Kleinhanns, Tobias, Francesco Milillo, Mariano Calcabrini, Christine Fiedler, Sharona Horta, Daniel Balazs, Marissa J. Strumolo, et al. “A Route to High Thermoelectric Performance: Solution‐based Control of Microstructure and Composition in Ag2Se.” Advanced Energy Materials. Wiley, 2024. https://doi.org/10.1002/aenm.202400408.","ista":"Kleinhanns T, Milillo F, Calcabrini M, Fiedler C, Horta S, Balazs D, Strumolo MJ, Hasler R, Llorca J, Tkadletz M, Brutchey RL, Ibáñez M. 2024. A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se. Advanced Energy Materials., 2400408."},"project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"article_number":"2400408","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1614-6840"],"issn":["1614-6832"]},"publication_status":"epub_ahead","month":"03","scopus_import":"1","main_file_link":[{"url":"https://doi.org/10.1002/aenm.202400408","open_access":"1"}],"oa_version":"Published Version","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"LifeSc"},{"_id":"NanoFab"}],"abstract":[{"text":"Thermoelectric materials convert heat into electricity, with a broad range of applications near room temperature (RT). However, the library of RT high-performance materials is limited. Traditional high-temperature synthetic methods constrain the range of materials achievable, hindering the ability to surpass crystal structure limitations and engineer defects. Here, a solution-based synthetic approach is introduced, enabling RT synthesis of powders and exploration of densification at lower temperatures to influence the material's microstructure. The approach is exemplified by Ag2Se, an n-type alternative to bismuth telluride. It is demonstrated that the concentration of Ag interstitials, grain boundaries, and dislocations are directly correlated to the sintering temperature, and achieve a figure of merit of 1.1 from RT to 100 °C after optimization. Moreover, insights into and resolve Ag2Se's challenges are provided, including stoichiometry issues leading to irreproducible performances. This work highlights the potential of RT solution synthesis in expanding the repertoire of high-performance thermoelectric materials for practical applications.","lang":"eng"}],"department":[{"_id":"MaIb"},{"_id":"LifeSc"}],"date_updated":"2024-03-25T09:21:05Z","status":"public","type":"journal_article","article_type":"original","_id":"15182"},{"abstract":[{"text":"Reducing defects boosts room-temperature performance of a thermoelectric device","lang":"eng"}],"oa_version":"None","scopus_import":"1","month":"03","intvolume":" 383","publication_identifier":{"eissn":["1095-9203"],"issn":["0036-8075"]},"publication_status":"published","language":[{"iso":"eng"}],"issue":"6688","volume":383,"_id":"15166","article_type":"letter_note","type":"journal_article","status":"public","date_updated":"2024-03-25T10:31:20Z","department":[{"_id":"MaIb"}],"acknowledgement":"The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support.","quality_controlled":"1","publisher":"American Association for the Advancement of Science","year":"2024","day":"14","publication":"Science","page":"1184","date_published":"2024-03-14T00:00:00Z","doi":"10.1126/science.ado4077","date_created":"2024-03-24T23:00:58Z","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"citation":{"mla":"Jakhar, Navita, and Maria Ibáñez. “Electron Highways Are Cooler.” Science, vol. 383, no. 6688, American Association for the Advancement of Science, 2024, p. 1184, doi:10.1126/science.ado4077.","ama":"Jakhar N, Ibáñez M. Electron highways are cooler. Science. 2024;383(6688):1184. doi:10.1126/science.ado4077","apa":"Jakhar, N., & Ibáñez, M. (2024). Electron highways are cooler. Science. American Association for the Advancement of Science. https://doi.org/10.1126/science.ado4077","short":"N. Jakhar, M. Ibáñez, Science 383 (2024) 1184.","ieee":"N. Jakhar and M. Ibáñez, “Electron highways are cooler,” Science, vol. 383, no. 6688. American Association for the Advancement of Science, p. 1184, 2024.","chicago":"Jakhar, Navita, and Maria Ibáñez. “Electron Highways Are Cooler.” Science. American Association for the Advancement of Science, 2024. https://doi.org/10.1126/science.ado4077.","ista":"Jakhar N, Ibáñez M. 2024. Electron highways are cooler. Science. 383(6688), 1184."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Navita","id":"6ebe278d-ba0b-11ee-8184-f34cdc671de4","full_name":"Navita, Navita","last_name":"Navita"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez"}],"article_processing_charge":"No","title":"Electron highways are cooler"},{"title":"A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance","author":[{"full_name":"He, Ren","last_name":"He","first_name":"Ren"},{"first_name":"Linlin","full_name":"Yang, Linlin","last_name":"Yang"},{"first_name":"Yu","full_name":"Zhang, Yu","last_name":"Zhang"},{"last_name":"Wang","full_name":"Wang, Xiang","first_name":"Xiang"},{"first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","last_name":"Lee","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598"},{"first_name":"Ting","full_name":"Zhang, Ting","last_name":"Zhang"},{"last_name":"Li","full_name":"Li, Lingxiao","first_name":"Lingxiao"},{"last_name":"Liang","full_name":"Liang, Zhifu","first_name":"Zhifu"},{"first_name":"Jingwei","last_name":"Chen","full_name":"Chen, Jingwei"},{"full_name":"Li, Junshan","last_name":"Li","first_name":"Junshan"},{"full_name":"Ostovari Moghaddam, Ahmad","last_name":"Ostovari Moghaddam","first_name":"Ahmad"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"last_name":"Xu","full_name":"Xu, Ying","first_name":"Ying"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"external_id":{"isi":["000967601700001"]},"article_processing_charge":"No","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"mla":"He, Ren, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction Reactions and Zinc-Air Battery Performance.” Energy Storage Materials, vol. 58, no. 4, Elsevier, 2023, pp. 287–98, doi:10.1016/j.ensm.2023.03.022.","short":"R. He, L. Yang, Y. Zhang, X. Wang, S. Lee, T. Zhang, L. Li, Z. Liang, J. Chen, J. Li, A. Ostovari Moghaddam, J. Llorca, M. Ibáñez, J. Arbiol, Y. Xu, A. Cabot, Energy Storage Materials 58 (2023) 287–298.","ieee":"R. He et al., “A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance,” Energy Storage Materials, vol. 58, no. 4. Elsevier, pp. 287–298, 2023.","apa":"He, R., Yang, L., Zhang, Y., Wang, X., Lee, S., Zhang, T., … Cabot, A. (2023). A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. Elsevier. https://doi.org/10.1016/j.ensm.2023.03.022","ama":"He R, Yang L, Zhang Y, et al. A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. 2023;58(4):287-298. doi:10.1016/j.ensm.2023.03.022","chicago":"He, Ren, Linlin Yang, Yu Zhang, Xiang Wang, Seungho Lee, Ting Zhang, Lingxiao Li, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction Reactions and Zinc-Air Battery Performance.” Energy Storage Materials. Elsevier, 2023. https://doi.org/10.1016/j.ensm.2023.03.022.","ista":"He R, Yang L, Zhang Y, Wang X, Lee S, Zhang T, Li L, Liang Z, Chen J, Li J, Ostovari Moghaddam A, Llorca J, Ibáñez M, Arbiol J, Xu Y, Cabot A. 2023. A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance. Energy Storage Materials. 58(4), 287–298."},"project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"date_published":"2023-04-01T00:00:00Z","doi":"10.1016/j.ensm.2023.03.022","date_created":"2023-04-16T22:01:07Z","page":"287-298","day":"01","publication":"Energy Storage Materials","isi":1,"year":"2023","quality_controlled":"1","publisher":"Elsevier","acknowledgement":"The authors thank the support from the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio de Ciencia e Innovación. The authors acknowledge funding from Generalitat de Catalunya 2021 SGR 01581 and 2021 SGR 00457. ICN2 acknowledges the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). IREC and ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S). ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya. The authors thank the support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF A way of making Europe”, by the “European Union”. Part of the present work has been performed in the frameworks of Universitat de Barcelona Nanoscience PhD program. This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF). S. Lee. and M. Ibáñez acknowledge funding by IST Austria and the Werner Siemens Foundation. J. Llorca is a Serra Húnter Fellow and is grateful to ICREA Academia program and projects MICINN/FEDER PID2021-124572OB-C31 and GC 2017 SGR 128. L. L.Yang thanks the China Scholarship Council (CSC) for the scholarship support (202008130132). Z. F. Liang acknowledges funding from MINECO SO-FPT PhD grant (SEV-2013-0295-17-1). J. W. Chen and Y. Xu thank the support from The Key Research and Development Program of Hebei Province (No. 20314305D) and the cooperative scientific research project of the “Chunhui Program” of the Ministry of Education (2018-7). This work was supported by the Natural Science Foundation of Sichuan province (NSFSC) and funded by the Science and Technology Department of Sichuan Province (2022NSFSC1229).","department":[{"_id":"MaIb"}],"date_updated":"2023-08-01T14:08:02Z","status":"public","type":"journal_article","article_type":"original","_id":"12832","issue":"4","volume":58,"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["2405-8297"]},"publication_status":"published","month":"04","intvolume":" 58","scopus_import":"1","oa_version":"None","acknowledged_ssus":[{"_id":"EM-Fac"}],"abstract":[{"text":"The development of cost-effective, high-activity and stable bifunctional catalysts for the oxygen reduction and evolution reactions (ORR/OER) is essential for zinc–air batteries (ZABs) to reach the market. Such catalysts must contain multiple adsorption/reaction sites to cope with the high demands of reversible oxygen electrodes. Herein, we propose a high entropy alloy (HEA) based on relatively abundant elements as a bifunctional ORR/OER catalyst. More specifically, we detail the synthesis of a CrMnFeCoNi HEA through a low-temperature solution-based approach. Such HEA displays superior OER performance with an overpotential of 265 mV at a current density of 10 mA/cm2, and a 37.9 mV/dec Tafel slope, well above the properties of a standard commercial catalyst based on RuO2. This high performance is partially explained by the presence of twinned defects, the incidence of large lattice distortions, and the electronic synergy between the different components, being Cr key to decreasing the energy barrier of the OER rate-determining step. CrMnFeCoNi also displays superior ORR performance with a half-potential of 0.78 V and an onset potential of 0.88 V, comparable with commercial Pt/C. The potential gap (Egap) between the OER overpotential and the ORR half-potential of CrMnFeCoNi is just 0.734 V. Taking advantage of these outstanding properties, ZABs are assembled using the CrMnFeCoNi HEA as air cathode and a zinc foil as the anode. The assembled cells provide an open-circuit voltage of 1.489 V, i.e. 90% of its theoretical limit (1.66 V), a peak power density of 116.5 mW/cm2, and a specific capacity of 836 mAh/g that stays stable for more than 10 days of continuous cycling, i.e. 720 cycles @ 8 mA/cm2 and 16.6 days of continuous cycling, i.e. 1200 cycles @ 5 mA/cm2.","lang":"eng"}]},{"scopus_import":"1","intvolume":" 15","month":"05","abstract":[{"lang":"eng","text":"There is a need for the development of lead-free thermoelectric materials for medium-/high-temperature applications. Here, we report a thiol-free tin telluride (SnTe) precursor that can be thermally decomposed to produce SnTe crystals with sizes ranging from tens to several hundreds of nanometers. We further engineer SnTe–Cu2SnTe3 nanocomposites with a homogeneous phase distribution by decomposing the liquid SnTe precursor containing a dispersion of Cu1.5Te colloidal nanoparticles. The presence of Cu within the SnTe and the segregated semimetallic Cu2SnTe3 phase effectively improves the electrical conductivity of SnTe while simultaneously reducing the lattice thermal conductivity without compromising the Seebeck coefficient. Overall, power factors up to 3.63 mW m–1 K–2 and thermoelectric figures of merit up to 1.04 are obtained at 823 K, which represent a 167% enhancement compared with pristine SnTe."}],"pmid":1,"oa_version":"Published Version","volume":15,"issue":"19","publication_status":"published","publication_identifier":{"eissn":["1944-8252"],"issn":["1944-8244"]},"language":[{"iso":"eng"}],"file":[{"file_id":"13099","checksum":"23893be46763c4c78daacddd019de821","success":1,"content_type":"application/pdf","access_level":"open_access","relation":"main_file","date_created":"2023-05-30T07:38:44Z","file_name":"2023_ACSAppliedMaterials_Nan.pdf","date_updated":"2023-05-30T07:38:44Z","file_size":5640829,"creator":"dernst"}],"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","status":"public","_id":"13092","file_date_updated":"2023-05-30T07:38:44Z","department":[{"_id":"MaIb"}],"date_updated":"2023-08-01T14:50:09Z","ddc":["540"],"oa":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"Open Access is funded by the Austrian Science Fund (FWF). We thank Generalitat de Catalunya AGAUR─2021 SGR 01581 for financial support. B.F.N., K.X., and L.L.Y. thank the China Scholarship Council (CSC) for the scholarship support. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. J.S.L is grateful to the Science and Technology Department of Sichuan Province for the project no. 22NSFSC0966. K.H.L. was supported by the Institute of Zhejiang University-Quzhou (IZQ2021RCZX003). M.I. acknowledges the financial support from IST Austria.","page":"23380–23389","date_created":"2023-05-28T22:01:03Z","doi":"10.1021/acsami.3c00625","date_published":"2023-05-04T00:00:00Z","year":"2023","isi":1,"has_accepted_license":"1","publication":"ACS Applied Materials and Interfaces","day":"04","project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"}],"article_processing_charge":"No","external_id":{"isi":["000985497900001"],"pmid":["37141543"]},"author":[{"last_name":"Nan","full_name":"Nan, Bingfei","first_name":"Bingfei"},{"full_name":"Song, Xuan","last_name":"Song","first_name":"Xuan"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"last_name":"Yang","full_name":"Yang, Linlin","first_name":"Linlin"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","first_name":"Sharona","full_name":"Horta, Sharona","last_name":"Horta"},{"first_name":"Junshan","last_name":"Li","full_name":"Li, Junshan"},{"first_name":"Khak Ho","full_name":"Lim, Khak Ho","last_name":"Lim"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"title":"Bottom-up synthesis of SnTe-based thermoelectric composites","citation":{"mla":"Nan, Bingfei, et al. “Bottom-up Synthesis of SnTe-Based Thermoelectric Composites.” ACS Applied Materials and Interfaces, vol. 15, no. 19, American Chemical Society, 2023, pp. 23380–23389, doi:10.1021/acsami.3c00625.","ama":"Nan B, Song X, Chang C, et al. Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. 2023;15(19):23380–23389. doi:10.1021/acsami.3c00625","apa":"Nan, B., Song, X., Chang, C., Xiao, K., Zhang, Y., Yang, L., … Cabot, A. (2023). Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.3c00625","ieee":"B. Nan et al., “Bottom-up synthesis of SnTe-based thermoelectric composites,” ACS Applied Materials and Interfaces, vol. 15, no. 19. American Chemical Society, pp. 23380–23389, 2023.","short":"B. Nan, X. Song, C. Chang, K. Xiao, Y. Zhang, L. Yang, S. Horta, J. Li, K.H. Lim, M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 15 (2023) 23380–23389.","chicago":"Nan, Bingfei, Xuan Song, Cheng Chang, Ke Xiao, Yu Zhang, Linlin Yang, Sharona Horta, et al. “Bottom-up Synthesis of SnTe-Based Thermoelectric Composites.” ACS Applied Materials and Interfaces. American Chemical Society, 2023. https://doi.org/10.1021/acsami.3c00625.","ista":"Nan B, Song X, Chang C, Xiao K, Zhang Y, Yang L, Horta S, Li J, Lim KH, Ibáñez M, Cabot A. 2023. Bottom-up synthesis of SnTe-based thermoelectric composites. ACS Applied Materials and Interfaces. 15(19), 23380–23389."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8"},{"project":[{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"external_id":{"isi":["000986859000001"]},"article_processing_charge":"No","author":[{"full_name":"Nan, Bingfei","last_name":"Nan","first_name":"Bingfei"},{"first_name":"Mengyao","last_name":"Li","full_name":"Li, Mengyao"},{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"first_name":"Ke","last_name":"Xiao","full_name":"Xiao, Ke"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","last_name":"Chang","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"first_name":"Xu","full_name":"Han, Xu","last_name":"Han"},{"full_name":"Zuo, Yong","last_name":"Zuo","first_name":"Yong"},{"full_name":"Li, Junshan","last_name":"Li","first_name":"Junshan"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"title":"Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature","citation":{"ista":"Nan B, Li M, Zhang Y, Xiao K, Lim KH, Chang C, Han X, Zuo Y, Li J, Arbiol J, Llorca J, Ibáñez M, Cabot A. 2023. Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials.","chicago":"Nan, Bingfei, Mengyao Li, Yu Zhang, Ke Xiao, Khak Ho Lim, Cheng Chang, Xu Han, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide in Aqueous Solution and Ambient Temperature.” ACS Applied Electronic Materials. American Chemical Society, 2023. https://doi.org/10.1021/acsaelm.3c00055.","apa":"Nan, B., Li, M., Zhang, Y., Xiao, K., Lim, K. H., Chang, C., … Cabot, A. (2023). Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials. American Chemical Society. https://doi.org/10.1021/acsaelm.3c00055","ama":"Nan B, Li M, Zhang Y, et al. Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature. ACS Applied Electronic Materials. 2023. doi:10.1021/acsaelm.3c00055","ieee":"B. Nan et al., “Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature,” ACS Applied Electronic Materials. American Chemical Society, 2023.","short":"B. Nan, M. Li, Y. Zhang, K. Xiao, K.H. Lim, C. Chang, X. Han, Y. Zuo, J. Li, J. Arbiol, J. Llorca, M. Ibáñez, A. Cabot, ACS Applied Electronic Materials (2023).","mla":"Nan, Bingfei, et al. “Engineering of Thermoelectric Composites Based on Silver Selenide in Aqueous Solution and Ambient Temperature.” ACS Applied Electronic Materials, American Chemical Society, 2023, doi:10.1021/acsaelm.3c00055."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","oa":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"Open Access is funded by the Austrian Science Fund (FWF). B.N., M.L., Y.Z., K.X., and X.H. thank the China Scholarship Council (CSC) for the scholarship support. C.C. received funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. M.I. acknowledges the financial support from ISTA and the Werner Siemens Foundation. ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457 and project NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/. ICN2 was supported by the Severo Ochoa program from Spanish MCIN/AEI (Grant No.: CEX2021-001214-S) and was funded by the CERCA Programme/Generalitat de Catalunya. J.L. is a Serra Húnter Fellow and is grateful to the ICREA Academia program and projects MICINN/FEDER PID2021-124572OB-C31 and 2021 SGR 01061. K.H.L. acknowledges support from the National Natural Science Foundation of China (22208293). This study is part of the Advanced Materials programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya.","date_created":"2023-05-28T22:01:03Z","doi":"10.1021/acsaelm.3c00055","date_published":"2023-05-05T00:00:00Z","year":"2023","isi":1,"publication":"ACS Applied Electronic Materials","day":"05","article_type":"original","type":"journal_article","status":"public","_id":"13093","department":[{"_id":"MaIb"}],"date_updated":"2023-08-01T14:50:48Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsaelm.3c00055"}],"scopus_import":"1","month":"05","abstract":[{"text":"The direct, solid state, and reversible conversion between heat and electricity using thermoelectric devices finds numerous potential uses, especially around room temperature. However, the relatively high material processing cost limits their real applications. Silver selenide (Ag2Se) is one of the very few n-type thermoelectric (TE) materials for room-temperature applications. Herein, we report a room temperature, fast, and aqueous-phase synthesis approach to produce Ag2Se, which can be extended to other metal chalcogenides. These materials reach TE figures of merit (zT) of up to 0.76 at 380 K. To improve these values, bismuth sulfide (Bi2S3) particles also prepared in an aqueous solution are incorporated into the Ag2Se matrix. In this way, a series of Ag2Se/Bi2S3 composites with Bi2S3 wt % of 0.5, 1.0, and 1.5 are prepared by solution blending and hot-press sintering. The presence of Bi2S3 significantly improves the Seebeck coefficient and power factor while at the same time decreasing the thermal conductivity with no apparent drop in electrical conductivity. Thus, a maximum zT value of 0.96 is achieved in the composites with 1.0 wt % Bi2S3 at 370 K. Furthermore, a high average zT value (zTave) of 0.93 in the 300–390 K range is demonstrated.","lang":"eng"}],"oa_version":"Published Version","publication_status":"epub_ahead","publication_identifier":{"eissn":["2637-6113"]},"language":[{"iso":"eng"}]},{"date_created":"2023-07-16T22:01:11Z","doi":"10.1021/acsnano.3c03541","date_published":"2023-06-13T00:00:00Z","page":"11923–11934","publication":"ACS Nano","day":"13","year":"2023","isi":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (Grant No. 22208293). Y.Z. acknowledges support from the SBIR program NanoOhmics. J.L. is grateful for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","title":"Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance","external_id":{"pmid":["37310395"],"isi":["001008564800001"]},"article_processing_charge":"No","author":[{"last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu"},{"first_name":"Mingquan","full_name":"Li, Mingquan","last_name":"Li"},{"last_name":"Wan","full_name":"Wan, Shanhong","first_name":"Shanhong"},{"full_name":"Lim, Khak Ho","last_name":"Lim","first_name":"Khak Ho"},{"first_name":"Yu","full_name":"Zhang, Yu","last_name":"Zhang"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"first_name":"Min","full_name":"Hong, Min","last_name":"Hong"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"chicago":"Liu, Yu, Mingquan Li, Shanhong Wan, Khak Ho Lim, Yu Zhang, Mengyao Li, Junshan Li, Maria Ibáñez, Min Hong, and Andreu Cabot. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” ACS Nano. American Chemical Society, 2023. https://doi.org/10.1021/acsnano.3c03541.","ista":"Liu Y, Li M, Wan S, Lim KH, Zhang Y, Li M, Li J, Ibáñez M, Hong M, Cabot A. 2023. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. 17(12), 11923–11934.","mla":"Liu, Yu, et al. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” ACS Nano, vol. 17, no. 12, American Chemical Society, 2023, pp. 11923–11934, doi:10.1021/acsnano.3c03541.","apa":"Liu, Y., Li, M., Wan, S., Lim, K. H., Zhang, Y., Li, M., … Cabot, A. (2023). Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.3c03541","ama":"Liu Y, Li M, Wan S, et al. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. 2023;17(12):11923–11934. doi:10.1021/acsnano.3c03541","short":"Y. Liu, M. Li, S. Wan, K.H. Lim, Y. Zhang, M. Li, J. Li, M. Ibáñez, M. Hong, A. Cabot, ACS Nano 17 (2023) 11923–11934.","ieee":"Y. Liu et al., “Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance,” ACS Nano, vol. 17, no. 12. American Chemical Society, pp. 11923–11934, 2023."},"project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"issue":"12","volume":17,"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"intvolume":" 17","month":"06","scopus_import":"1","pmid":1,"oa_version":"None","abstract":[{"lang":"eng","text":"AgSbSe2 is a promising thermoelectric (TE) p-type material for applications in the middle-temperature range. AgSbSe2 is characterized by relatively low thermal conductivities and high Seebeck coefficients, but its main limitation is moderate electrical conductivity. Herein, we detail an efficient and scalable hot-injection synthesis route to produce AgSbSe2 nanocrystals (NCs). To increase the carrier concentration and improve the electrical conductivity, these NCs are doped with Sn2+ on Sb3+ sites. Upon processing, the Sn2+ chemical state is conserved using a reducing NaBH4 solution to displace the organic ligand and anneal the material under a forming gas flow. The TE properties of the dense materials obtained from the consolidation of the NCs using a hot pressing are then characterized. The presence of Sn2+ ions replacing Sb3+ significantly increases the charge carrier concentration and, consequently, the electrical conductivity. Opportunely, the measured Seebeck coefficient varied within a small range upon Sn doping. The excellent performance obtained when Sn2+ ions are prevented from oxidation is rationalized by modeling the system. Calculated band structures disclosed that Sn doping induces convergence of the AgSbSe2 valence bands, accounting for an enhanced electronic effective mass. The dramatically enhanced carrier transport leads to a maximized power factor for AgSb0.98Sn0.02Se2 of 0.63 mW m–1 K–2 at 640 K. Thermally, phonon scattering is significantly enhanced in the NC-based materials, yielding an ultralow thermal conductivity of 0.3 W mK–1 at 666 K. Overall, a record-high figure of merit (zT) is obtained at 666 K for AgSb0.98Sn0.02Se2 at zT = 1.37, well above the values obtained for undoped AgSbSe2, at zT = 0.58 and state-of-art Pb- and Te-free materials, which makes AgSb0.98Sn0.02Se2 an excellent p-type candidate for medium-temperature TE applications."}],"department":[{"_id":"MaIb"}],"date_updated":"2023-08-02T06:29:55Z","status":"public","type":"journal_article","article_type":"original","_id":"13235"},{"related_material":{"record":[{"relation":"part_of_dissertation","status":"public","id":"10806"},{"id":"10042","status":"public","relation":"part_of_dissertation"},{"relation":"part_of_dissertation","status":"public","id":"12237"},{"status":"public","id":"9118","relation":"part_of_dissertation"},{"id":"10123","status":"public","relation":"part_of_dissertation"}]},"ec_funded":1,"file":[{"content_type":"application/vnd.openxmlformats-officedocument.wordprocessingml.document","relation":"source_file","access_level":"closed","checksum":"9347b0e09425f56fdcede5d3528404dc","file_id":"12887","file_size":99627036,"date_updated":"2023-05-02T07:43:18Z","creator":"mcalcabr","file_name":"Thesis_Calcabrini.docx","date_created":"2023-05-02T07:43:18Z"},{"relation":"main_file","access_level":"open_access","content_type":"application/pdf","success":1,"file_id":"12888","checksum":"2d188b76621086cd384f0b9264b0a576","creator":"mcalcabr","file_size":8742220,"date_updated":"2023-05-02T07:42:45Z","file_name":"Thesis_Calcabrini_pdfa.pdf","date_created":"2023-05-02T07:42:45Z"}],"language":[{"iso":"eng"}],"publication_identifier":{"isbn":["978-3-99078-028-2"],"issn":["2663-337X"]},"publication_status":"published","degree_awarded":"PhD","month":"04","alternative_title":["ISTA Thesis"],"oa_version":"Published Version","abstract":[{"text":"High-performance semiconductors rely upon precise control of heat and charge transport. This can be achieved by precisely engineering defects in polycrystalline solids. There are multiple approaches to preparing such polycrystalline semiconductors, and the transformation of solution-processed colloidal nanoparticles is appealing because colloidal nanoparticles combine low cost with structural and compositional tunability along with rich surface chemistry. However, the multiple processes from nanoparticle synthesis to the final bulk nanocomposites are very complex. They involve nanoparticle purification, post-synthetic modifications, and finally consolidation (thermal treatments and densification). All these properties dictate the final material’s composition and microstructure, ultimately affecting its functional properties. This thesis explores the synthesis, surface chemistry and consolidation of colloidal semiconductor nanoparticles into dense solids. In particular, the transformations that take place during these processes, and their effect on the material’s transport properties are evaluated. ","lang":"eng"}],"acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"file_date_updated":"2023-05-02T07:43:18Z","department":[{"_id":"GradSch"},{"_id":"MaIb"}],"ddc":["546","541"],"supervisor":[{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"}],"date_updated":"2023-08-14T07:25:26Z","status":"public","type":"dissertation","_id":"12885","doi":"10.15479/at:ista:12885","date_published":"2023-04-28T00:00:00Z","date_created":"2023-05-02T07:58:57Z","page":"82","day":"28","has_accepted_license":"1","year":"2023","publisher":"Institute of Science and Technology Austria","oa":1,"title":"Nanoparticle-based semiconductor solids: From synthesis to consolidation","author":[{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano","orcid":"0000-0003-4566-5877","full_name":"Calcabrini, Mariano","last_name":"Calcabrini"}],"article_processing_charge":"No","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","citation":{"ista":"Calcabrini M. 2023. Nanoparticle-based semiconductor solids: From synthesis to consolidation. Institute of Science and Technology Austria.","chicago":"Calcabrini, Mariano. “Nanoparticle-Based Semiconductor Solids: From Synthesis to Consolidation.” Institute of Science and Technology Austria, 2023. https://doi.org/10.15479/at:ista:12885.","short":"M. Calcabrini, Nanoparticle-Based Semiconductor Solids: From Synthesis to Consolidation, Institute of Science and Technology Austria, 2023.","ieee":"M. Calcabrini, “Nanoparticle-based semiconductor solids: From synthesis to consolidation,” Institute of Science and Technology Austria, 2023.","ama":"Calcabrini M. Nanoparticle-based semiconductor solids: From synthesis to consolidation. 2023. doi:10.15479/at:ista:12885","apa":"Calcabrini, M. (2023). Nanoparticle-based semiconductor solids: From synthesis to consolidation. Institute of Science and Technology Austria. https://doi.org/10.15479/at:ista:12885","mla":"Calcabrini, Mariano. Nanoparticle-Based Semiconductor Solids: From Synthesis to Consolidation. Institute of Science and Technology Austria, 2023, doi:10.15479/at:ista:12885."},"project":[{"call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","grant_number":"665385"}]},{"month":"03","intvolume":" 613","scopus_import":"1","oa_version":"None","abstract":[{"lang":"eng","text":"The power factor of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) film can be significantly improved by optimizing the oxidation level of the film in oxidation and reduction processes. However, precise control over the oxidation and reduction effects in PEDOT:PSS remains a challenge, which greatly sacrifices both S and σ. Here, we propose a two-step post-treatment using a mixture of ethylene glycol (EG) and Arginine (Arg) and sulfuric acid (H2SO4) in sequence to engineer high-performance PEDOT:PSS thermoelectric films. The high-polarity EG dopant removes the excess non-ionized PSS and induces benzenoid-to-quinoid conformational change in the PEDOT:PSS films. In particular, basic amino acid Arg tunes the oxidation level of PEDOT:PSS and prevents the films from over-oxidation during H2SO4 post-treatment, leading to increased S. The following H2SO4 post-treatment further induces highly orientated lamellar stacking microstructures to increase σ, yielding a maximum power factor of 170.6 μW m−1 K−2 at 460 K. Moreover, a novel trigonal-shape thermoelectric device is designed and assembled by the as-prepared PEDOT:PSS films in order to harvest heat via a vertical temperature gradient. An output power density of 33 μW cm−2 is generated at a temperature difference of 40 K, showing the potential application for low-grade wearable electronic devices."}],"volume":613,"language":[{"iso":"eng"}],"publication_identifier":{"issn":["0169-4332"]},"publication_status":"epub_ahead","status":"public","keyword":["Surfaces","Coatings and Films","Condensed Matter Physics","Surfaces and Interfaces","General Physics and Astronomy","General Chemistry"],"article_type":"original","type":"journal_article","_id":"12113","department":[{"_id":"MaIb"}],"date_updated":"2023-08-14T11:47:06Z","publisher":"Elsevier","quality_controlled":"1","acknowledgement":"Scientific Research Program Funded by Shaanxi Provincial Education Department (Program No.22JY012), Natural Science Basic Research Program of Shaanxi (Grant No.2022JZ-31), Young Talent fund of University Association for Science and Technology in Shaanxi, China (Grant No.20210411), China Postdoctoral Science Foundation (Grant No. 2021M692621), the Foundation of Shaanxi University of Science & Technology (Grant No. 2017GBJ-03), Open Foundation of Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education, Shaanxi University of Science and Technology (Grant No. KFKT2022-15), and Open Foundation of Shaanxi Collaborative Innovation Center of Industrial Auxiliary Chemistry and Technology, Shaanxi University of Science and Technology (Grant No. KFKT2022-15).","doi":"10.1016/j.apsusc.2022.156101","date_published":"2023-03-15T00:00:00Z","date_created":"2023-01-12T11:55:02Z","day":"15","publication":"Applied Surface Science","isi":1,"year":"2023","article_number":"156101","title":"Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient","author":[{"last_name":"Zhang","full_name":"Zhang, Li","first_name":"Li"},{"last_name":"Liu","full_name":"Liu, Xingyu","first_name":"Xingyu"},{"last_name":"Wu","full_name":"Wu, Ting","first_name":"Ting"},{"last_name":"Xu","full_name":"Xu, Shengduo","first_name":"Shengduo","id":"12ab8624-4c8a-11ec-9e11-e1ac2438f22f"},{"first_name":"Guoquan","last_name":"Suo","full_name":"Suo, Guoquan"},{"last_name":"Ye","full_name":"Ye, Xiaohui","first_name":"Xiaohui"},{"first_name":"Xiaojiang","full_name":"Hou, Xiaojiang","last_name":"Hou"},{"last_name":"Yang","full_name":"Yang, Yanling","first_name":"Yanling"},{"first_name":"Qingfeng","last_name":"Liu","full_name":"Liu, Qingfeng"},{"last_name":"Wang","full_name":"Wang, Hongqiang","first_name":"Hongqiang"}],"external_id":{"isi":["000911497000001"]},"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ista":"Zhang L, Liu X, Wu T, Xu S, Suo G, Ye X, Hou X, Yang Y, Liu Q, Wang H. 2023. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 613, 156101.","chicago":"Zhang, Li, Xingyu Liu, Ting Wu, Shengduo Xu, Guoquan Suo, Xiaohui Ye, Xiaojiang Hou, Yanling Yang, Qingfeng Liu, and Hongqiang Wang. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science. Elsevier, 2023. https://doi.org/10.1016/j.apsusc.2022.156101.","ieee":"L. Zhang et al., “Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient,” Applied Surface Science, vol. 613. Elsevier, 2023.","short":"L. Zhang, X. Liu, T. Wu, S. Xu, G. Suo, X. Ye, X. Hou, Y. Yang, Q. Liu, H. Wang, Applied Surface Science 613 (2023).","ama":"Zhang L, Liu X, Wu T, et al. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 2023;613. doi:10.1016/j.apsusc.2022.156101","apa":"Zhang, L., Liu, X., Wu, T., Xu, S., Suo, G., Ye, X., … Wang, H. (2023). Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. Elsevier. https://doi.org/10.1016/j.apsusc.2022.156101","mla":"Zhang, Li, et al. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science, vol. 613, 156101, Elsevier, 2023, doi:10.1016/j.apsusc.2022.156101."}},{"title":"Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe","article_processing_charge":"No","external_id":{"isi":["000914749700001"]},"author":[{"full_name":"Wang, Siqi","last_name":"Wang","first_name":"Siqi"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","last_name":"Chang","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277"},{"first_name":"Shulin","full_name":"Bai, Shulin","last_name":"Bai"},{"full_name":"Qin, Bingchao","last_name":"Qin","first_name":"Bingchao"},{"last_name":"Zhu","full_name":"Zhu, Yingcai","first_name":"Yingcai"},{"last_name":"Zhan","full_name":"Zhan, Shaoping","first_name":"Shaoping"},{"full_name":"Zheng, Junqing","last_name":"Zheng","first_name":"Junqing"},{"first_name":"Shuwei","last_name":"Tang","full_name":"Tang, Shuwei"},{"first_name":"Li Dong","full_name":"Zhao, Li Dong","last_name":"Zhao"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ista":"Wang S, Chang C, Bai S, Qin B, Zhu Y, Zhan S, Zheng J, Tang S, Zhao LD. 2023. Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. 35(2), 755–763.","chicago":"Wang, Siqi, Cheng Chang, Shulin Bai, Bingchao Qin, Yingcai Zhu, Shaoping Zhan, Junqing Zheng, Shuwei Tang, and Li Dong Zhao. “Fine Tuning of Defects Enables High Carrier Mobility and Enhanced Thermoelectric Performance of N-Type PbTe.” Chemistry of Materials. American Chemical Society, 2023. https://doi.org/10.1021/acs.chemmater.2c03542.","ama":"Wang S, Chang C, Bai S, et al. Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. 2023;35(2):755-763. doi:10.1021/acs.chemmater.2c03542","apa":"Wang, S., Chang, C., Bai, S., Qin, B., Zhu, Y., Zhan, S., … Zhao, L. D. (2023). Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe. Chemistry of Materials. American Chemical Society. https://doi.org/10.1021/acs.chemmater.2c03542","short":"S. Wang, C. Chang, S. Bai, B. Qin, Y. Zhu, S. Zhan, J. Zheng, S. Tang, L.D. Zhao, Chemistry of Materials 35 (2023) 755–763.","ieee":"S. Wang et al., “Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe,” Chemistry of Materials, vol. 35, no. 2. American Chemical Society, pp. 755–763, 2023.","mla":"Wang, Siqi, et al. “Fine Tuning of Defects Enables High Carrier Mobility and Enhanced Thermoelectric Performance of N-Type PbTe.” Chemistry of Materials, vol. 35, no. 2, American Chemical Society, 2023, pp. 755–63, doi:10.1021/acs.chemmater.2c03542."},"project":[{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"}],"date_created":"2023-01-22T23:00:55Z","date_published":"2023-01-24T00:00:00Z","doi":"10.1021/acs.chemmater.2c03542","page":"755-763","publication":"Chemistry of Materials","day":"24","year":"2023","has_accepted_license":"1","isi":1,"oa":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"The National Key Research and Development Program of China (2018YFA0702100), the Basic Science Center Project of the National Natural Science Foundation of China (51788104), the National Natural Science Foundation of China (51571007 and 51772012), the Beijing Natural Science Foundation (JQ18004), the 111 Project (B17002), the National Science Fund for Distinguished Young Scholars (51925101), and the FWF “Lise Meitner Fellowship” (grant agreement M2889-N). Open Access is funded by the Austrian Science Fund (FWF).","department":[{"_id":"MaIb"}],"file_date_updated":"2023-08-14T12:57:25Z","ddc":["540"],"date_updated":"2023-08-14T12:57:44Z","status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","_id":"12331","issue":"2","volume":35,"language":[{"iso":"eng"}],"file":[{"date_created":"2023-08-14T12:57:25Z","file_name":"2023_ChemistryMaterials_Wang.pdf","creator":"dernst","date_updated":"2023-08-14T12:57:25Z","file_size":2961043,"file_id":"14055","checksum":"b21dca2aa7a80c068bc256bdd1fea9df","success":1,"access_level":"open_access","relation":"main_file","content_type":"application/pdf"}],"publication_status":"published","publication_identifier":{"eissn":["1520-5002"],"issn":["0897-4756"]},"intvolume":" 35","month":"01","scopus_import":"1","oa_version":"Published Version","abstract":[{"text":"High carrier mobility is critical to improving thermoelectric performance over a broad temperature range. However, traditional doping inevitably deteriorates carrier mobility. Herein, we develop a strategy for fine tuning of defects to improve carrier mobility. To begin, n-type PbTe is created by compensating for the intrinsic Pb vacancy in bare PbTe. Excess Pb2+ reduces vacancy scattering, resulting in a high carrier mobility of ∼3400 cm2 V–1 s–1. Then, excess Ag is introduced to compensate for the remaining intrinsic Pb vacancies. We find that excess Ag exhibits a dynamic doping process with increasing temperatures, increasing both the carrier concentration and carrier mobility throughout a wide temperature range; specifically, an ultrahigh carrier mobility ∼7300 cm2 V–1 s–1 is obtained for Pb1.01Te + 0.002Ag at 300 K. Moreover, the dynamic doping-induced high carrier concentration suppresses the bipolar thermal conductivity at high temperatures. The final step is using iodine to optimize the carrier concentration to ∼1019 cm–3. Ultimately, a maximum ZT value of ∼1.5 and a large average ZTave value of ∼1.0 at 300–773 K are obtained for Pb1.01Te0.998I0.002 + 0.002Ag. These findings demonstrate that fine tuning of defects with <0.5% impurities can remarkably enhance carrier mobility and improve thermoelectric performance.","lang":"eng"}]},{"title":"Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites","author":[{"first_name":"Congcong","full_name":"Xing, Congcong","last_name":"Xing"},{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"full_name":"Xiao, Ke","last_name":"Xiao","first_name":"Ke"},{"first_name":"Xu","last_name":"Han","full_name":"Han, Xu"},{"last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu"},{"last_name":"Nan","full_name":"Nan, Bingfei","first_name":"Bingfei"},{"full_name":"Ramon, Maria Garcia","last_name":"Ramon","id":"1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9","first_name":"Maria Garcia"},{"full_name":"Lim, Khak Ho","last_name":"Lim","first_name":"Khak Ho"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"first_name":"Bed","full_name":"Poudel, Bed","last_name":"Poudel"},{"first_name":"Amin","full_name":"Nozariasbmarz, Amin","last_name":"Nozariasbmarz"},{"first_name":"Wenjie","last_name":"Li","full_name":"Li, Wenjie"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"article_processing_charge":"No","external_id":{"pmid":["37071412"],"isi":["000976063200001"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"chicago":"Xing, Congcong, Yu Zhang, Ke Xiao, Xu Han, Yu Liu, Bingfei Nan, Maria Garcia Ramon, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” ACS Nano. American Chemical Society, 2023. https://doi.org/10.1021/acsnano.3c00495.","ista":"Xing C, Zhang Y, Xiao K, Han X, Liu Y, Nan B, Ramon MG, Lim KH, Li J, Arbiol J, Poudel B, Nozariasbmarz A, Li W, Ibáñez M, Cabot A. 2023. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 17(9), 8442–8452.","mla":"Xing, Congcong, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” ACS Nano, vol. 17, no. 9, American Chemical Society, 2023, pp. 8442–52, doi:10.1021/acsnano.3c00495.","ama":"Xing C, Zhang Y, Xiao K, et al. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 2023;17(9):8442-8452. doi:10.1021/acsnano.3c00495","apa":"Xing, C., Zhang, Y., Xiao, K., Han, X., Liu, Y., Nan, B., … Cabot, A. (2023). Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.3c00495","ieee":"C. Xing et al., “Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites,” ACS Nano, vol. 17, no. 9. American Chemical Society, pp. 8442–8452, 2023.","short":"C. Xing, Y. Zhang, K. Xiao, X. Han, Y. Liu, B. Nan, M.G. Ramon, K.H. Lim, J. Li, J. Arbiol, B. Poudel, A. Nozariasbmarz, W. Li, M. Ibáñez, A. Cabot, ACS Nano 17 (2023) 8442–8452."},"quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"The authors acknowledge support from the projects ENE2016-77798-C4-3-R and NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/and by “ERDF A way of making Europe”, and by the “European Union”. K.X. and B.N. thank the China Scholarship Council (CSC) for scholarship support. The authors acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246. ICN2 is supported by the Severo Ochoa program from the Spanish MCIN/AEI (Grant No.: CEX2021-001214-S). IREC and ICN2 are funded by the CERCA Programme/Generalitat de Catalunya. J.L. acknowledges support from the Natural Science Foundation of Sichuan province (2022NSFSC1229). Part of the present work was performed in the frameworks of Universitat de Barcelona Nanoscience Ph.D. program and Universitat Autònoma de Barcelona Materials Science Ph.D. program. Y.L. acknowledges funding from the National Natural Science Foundation of China (Grant No. 22209034) and the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grants No. 2022LCX002). K.H.L. acknowledges the financial support of the National Natural Science Foundation of China (Grant No. 22208293).","doi":"10.1021/acsnano.3c00495","date_published":"2023-05-09T00:00:00Z","date_created":"2023-05-07T22:01:04Z","page":"8442-8452","day":"09","publication":"ACS Nano","isi":1,"year":"2023","status":"public","type":"journal_article","article_type":"original","_id":"12915","department":[{"_id":"MaIb"}],"date_updated":"2023-10-04T11:29:22Z","month":"05","intvolume":" 17","scopus_import":"1","oa_version":"None","pmid":1,"abstract":[{"text":"Cu2–xS and Cu2–xSe have recently been reported as promising thermoelectric (TE) materials for medium-temperature applications. In contrast, Cu2–xTe, another member of the copper chalcogenide family, typically exhibits low Seebeck coefficients that limit its potential to achieve a superior thermoelectric figure of merit, zT, particularly in the low-temperature range where this material could be effective. To address this, we investigated the TE performance of Cu1.5–xTe–Cu2Se nanocomposites by consolidating surface-engineered Cu1.5Te nanocrystals. This surface engineering strategy allows for precise adjustment of Cu/Te ratios and results in a reversible phase transition at around 600 K in Cu1.5–xTe–Cu2Se nanocomposites, as systematically confirmed by in situ high-temperature X-ray diffraction combined with differential scanning calorimetry analysis. The phase transition leads to a conversion from metallic-like to semiconducting-like TE properties. Additionally, a layer of Cu2Se generated around Cu1.5–xTe nanoparticles effectively inhibits Cu1.5–xTe grain growth, minimizing thermal conductivity and decreasing hole concentration. These properties indicate that copper telluride based compounds have a promising thermoelectric potential, translated into a high dimensionless zT of 1.3 at 560 K.","lang":"eng"}],"volume":17,"issue":"9","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"publication_status":"published"},{"quality_controlled":"1","publisher":"Elsevier","acknowledgement":"This work was carried out within the framework of the project Combenergy, PID2019-105490RB-C32, financed by the Spanish MCIN/AEI/10.13039/501100011033. ICN2 is supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S). IREC and ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. Part of the present work has been performed in the frameworks of the Universitat de Barcelona Nanoscience PhD program. ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya. The authors thank the support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF A way of making Europe”, by the European Union. The project on which these results are based has received funding from the European Union's Horizon 2020 research and innovation programme under Marie Skłodowska-Curie grant agreement No. 801342 (Tecniospring INDUSTRY) and the Government of Catalonia's Agency for Business Competitiveness (ACCIÓ). J. Li is grateful for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I. acknowledges funding by ISTA and the Werner Siemens Foundation.","doi":"10.1016/j.jelechem.2023.117369","date_published":"2023-05-01T00:00:00Z","date_created":"2023-04-16T22:01:06Z","isi":1,"year":"2023","day":"01","publication":"Journal of Electroanalytical Chemistry","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"article_number":"117369","author":[{"last_name":"Montaña-Mora","full_name":"Montaña-Mora, Guillem","first_name":"Guillem"},{"last_name":"Qi","full_name":"Qi, Xueqiang","first_name":"Xueqiang"},{"full_name":"Wang, Xiang","last_name":"Wang","first_name":"Xiang"},{"first_name":"Jesus","last_name":"Chacón-Borrero","full_name":"Chacón-Borrero, Jesus"},{"last_name":"Martinez-Alanis","full_name":"Martinez-Alanis, Paulina R.","first_name":"Paulina R."},{"first_name":"Xiaoting","last_name":"Yu","full_name":"Yu, Xiaoting"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"first_name":"Qian","last_name":"Xue","full_name":"Xue, Qian"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"article_processing_charge":"No","external_id":{"isi":["000967060900001"]},"title":"Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction","citation":{"ista":"Montaña-Mora G, Qi X, Wang X, Chacón-Borrero J, Martinez-Alanis PR, Yu X, Li J, Xue Q, Arbiol J, Ibáñez M, Cabot A. 2023. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. 936, 117369.","chicago":"Montaña-Mora, Guillem, Xueqiang Qi, Xiang Wang, Jesus Chacón-Borrero, Paulina R. Martinez-Alanis, Xiaoting Yu, Junshan Li, et al. “Phosphorous Incorporation into Palladium Tin Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.” Journal of Electroanalytical Chemistry. Elsevier, 2023. https://doi.org/10.1016/j.jelechem.2023.117369.","ama":"Montaña-Mora G, Qi X, Wang X, et al. Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. 2023;936. doi:10.1016/j.jelechem.2023.117369","apa":"Montaña-Mora, G., Qi, X., Wang, X., Chacón-Borrero, J., Martinez-Alanis, P. R., Yu, X., … Cabot, A. (2023). Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction. Journal of Electroanalytical Chemistry. Elsevier. https://doi.org/10.1016/j.jelechem.2023.117369","ieee":"G. Montaña-Mora et al., “Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction,” Journal of Electroanalytical Chemistry, vol. 936. Elsevier, 2023.","short":"G. Montaña-Mora, X. Qi, X. Wang, J. Chacón-Borrero, P.R. Martinez-Alanis, X. Yu, J. Li, Q. Xue, J. Arbiol, M. Ibáñez, A. Cabot, Journal of Electroanalytical Chemistry 936 (2023).","mla":"Montaña-Mora, Guillem, et al. “Phosphorous Incorporation into Palladium Tin Nanoparticles for the Electrocatalytic Formate Oxidation Reaction.” Journal of Electroanalytical Chemistry, vol. 936, 117369, Elsevier, 2023, doi:10.1016/j.jelechem.2023.117369."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","month":"05","intvolume":" 936","abstract":[{"lang":"eng","text":"The deployment of direct formate fuel cells (DFFCs) relies on the development of active and stable catalysts for the formate oxidation reaction (FOR). Palladium, providing effective full oxidation of formate to CO2, has been widely used as FOR catalyst, but it suffers from low stability, moderate activity, and high cost. Herein, we detail a colloidal synthesis route for the incorporation of P on Pd2Sn nanoparticles. These nanoparticles are dispersed on carbon black and the obtained composite is used as electrocatalytic material for the FOR. The Pd2Sn0.8P-based electrodes present outstanding catalytic activities with record mass current densities up to 10.0 A mgPd-1, well above those of Pd1.6Sn/C reference electrode. These high current densities are further enhanced by increasing the temperature from 25 °C to 40 °C. The Pd2Sn0.8P electrode also allows for slowing down the rapid current decay that generally happens during operation and can be rapidly re-activated through potential cycling. The excellent catalytic performance obtained is rationalized using density functional theory (DFT) calculations."}],"oa_version":"None","volume":936,"publication_identifier":{"issn":["1572-6657"]},"publication_status":"published","language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","status":"public","_id":"12829","department":[{"_id":"MaIb"}],"date_updated":"2023-10-04T11:52:33Z"},{"acknowledgement":"The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support.","publisher":"AAAS","quality_controlled":"1","day":"29","publication":"Science","year":"2023","date_published":"2023-09-29T00:00:00Z","doi":"10.1126/science.adk3070","date_created":"2023-10-08T22:01:16Z","page":"1413-1414","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"mla":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” Science, vol. 381, no. 6665, AAAS, 2023, pp. 1413–14, doi:10.1126/science.adk3070.","ieee":"D. Balazs and M. Ibáñez, “Widening the use of 3D printing,” Science, vol. 381, no. 6665. AAAS, pp. 1413–1414, 2023.","short":"D. Balazs, M. Ibáñez, Science 381 (2023) 1413–1414.","ama":"Balazs D, Ibáñez M. Widening the use of 3D printing. Science. 2023;381(6665):1413-1414. doi:10.1126/science.adk3070","apa":"Balazs, D., & Ibáñez, M. (2023). Widening the use of 3D printing. Science. AAAS. https://doi.org/10.1126/science.adk3070","chicago":"Balazs, Daniel, and Maria Ibáñez. “Widening the Use of 3D Printing.” Science. AAAS, 2023. https://doi.org/10.1126/science.adk3070.","ista":"Balazs D, Ibáñez M. 2023. Widening the use of 3D printing. Science. 381(6665), 1413–1414."},"title":"Widening the use of 3D printing","author":[{"id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E","first_name":"Daniel","last_name":"Balazs","full_name":"Balazs, Daniel","orcid":"0000-0001-7597-043X"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"}],"external_id":{"pmid":["37769110"]},"article_processing_charge":"No","oa_version":"None","pmid":1,"abstract":[{"text":"A light-triggered fabrication method extends the functionality of printable nanomaterials","lang":"eng"}],"month":"09","intvolume":" 381","scopus_import":"1","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1095-9203"]},"publication_status":"published","issue":"6665","volume":381,"_id":"14404","status":"public","article_type":"letter_note","type":"journal_article","date_updated":"2023-10-09T07:32:58Z","department":[{"_id":"MaIb"},{"_id":"LifeSc"}]},{"intvolume":" 145","month":"06","pmid":1,"oa_version":"Published Version","abstract":[{"lang":"eng","text":"Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of catalysts usually only considers one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using machine learning potentials trained on density functional theory calculations, and then the occupation of different single-atom active sites is identified using a similarity kernel. Further, the turnover frequency for all possible sites is calculated for propane dehydrogenation to propene through microkinetic modeling using density functional theory calculations. The total turnover frequencies of the whole nanoparticle are then described from both the population and the individual turnover frequency of each site. Under operating conditions, rhodium as a dopant is found to almost exclusively occupy (111) surface sites while palladium as a dopant occupies a greater variety of facets. Undercoordinated dopant surface sites are found to tend to be more reactive for propane dehydrogenation compared to the (111) surface. It is found that considering the dynamics of the single-atom alloy nanoparticle has a profound effect on the calculated catalytic activity of single-atom alloys by several orders of magnitude."}],"issue":"27","volume":145,"language":[{"iso":"eng"}],"file":[{"success":1,"checksum":"e07d5323f9c0e5cbd1ad6453f29440ab","file_id":"13219","relation":"main_file","access_level":"open_access","content_type":"application/pdf","file_name":"2023_JACS_Bunting.pdf","date_created":"2023-07-12T10:22:04Z","creator":"cchlebak","file_size":3155843,"date_updated":"2023-07-12T10:22:04Z"}],"publication_status":"published","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","_id":"13216","department":[{"_id":"MaIb"},{"_id":"BiCh"}],"file_date_updated":"2023-07-12T10:22:04Z","ddc":["540"],"date_updated":"2023-10-11T08:45:10Z","oa":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"B.C. acknowledges resources provided by the Cambridge Tier2 system operated by the University of Cambridge Research\r\nComputing Service funded by EPSRC Tier-2 capital grant EP/\r\nP020259/1.","date_created":"2023-07-12T09:16:40Z","date_published":"2023-06-30T00:00:00Z","doi":"10.1021/jacs.3c04030","page":"14894-14902","publication":"Journal of the American Chemical Society","day":"30","year":"2023","isi":1,"has_accepted_license":"1","title":"Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane","external_id":{"isi":["001020623900001"],"pmid":["37390457"]},"article_processing_charge":"Yes (via OA deal)","author":[{"id":"91deeae8-1207-11ec-b130-c194ad5b50c6","first_name":"Rhys","last_name":"Bunting","full_name":"Bunting, Rhys","orcid":"0000-0001-6928-074X"},{"full_name":"Wodaczek, Felix","orcid":"0009-0000-1457-795X","last_name":"Wodaczek","first_name":"Felix","id":"8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e"},{"full_name":"Torabi, Tina","last_name":"Torabi","first_name":"Tina"},{"full_name":"Cheng, Bingqing","orcid":"0000-0002-3584-9632","last_name":"Cheng","first_name":"Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9"}],"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","citation":{"mla":"Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society, vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.","ama":"Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030","apa":"Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030","ieee":"R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023.","short":"R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902.","chicago":"Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.3c04030.","ista":"Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902."}},{"month":"11","intvolume":" 13","scopus_import":"1","oa_version":"Published Version","abstract":[{"text":"As a bottleneck in the direct synthesis of hydrogen peroxide, the development of an efficient palladium-based catalyst has garnered great attention. However, elusive active centers and reaction mechanism issues inhibit further optimization of its performance. In this work, advanced microkinetic modeling with the adsorbate–adsorbate interaction and nanoparticle size effect based on first-principles calculations is developed. A full mechanism uncovering the significance of adsorbate–adsorbate interaction is determined on Pd nanoparticles. We demonstrate unambiguously that Pd(100) with main coverage species of O2 and H is beneficial to H2O2 production, being consistent with experimental operando observation, while H2O forms on Pd(111) covered by O species and Pd(211) covered by O and OH species. Kinetic analyses further enable quantitative estimation of the influence of temperature, pressure, and particle size. Large-size Pd nanoparticles are found to achieve a high H2O2 reaction rate when the operating conditions are moderate temperature and higher oxygen partial pressure. We reveal that specific facets of the Pd nanoparticles are crucial factors for their selectivity and activity. Consistent with the experiment, the production of H2O2 is discovered to be more favorable on Pd nanoparticles containing Pd(100) facets. The ratio of H2/O2 induces substantial variations in the coverage of intermediates of O2 and H on Pd(100), resulting in a change in product selectivity.","lang":"eng"}],"issue":"22","volume":13,"file":[{"relation":"main_file","access_level":"open_access","content_type":"application/pdf","success":1,"file_id":"14676","checksum":"a97c771077af71ddfb2249e34530895c","creator":"dernst","file_size":14813812,"date_updated":"2023-12-11T11:55:09Z","file_name":"2023_ACSCatalysis_.pdf","date_created":"2023-12-11T11:55:09Z"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["2155-5435"]},"publication_status":"published","status":"public","article_type":"original","type":"journal_article","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"_id":"14663","file_date_updated":"2023-12-11T11:55:09Z","department":[{"_id":"MaIb"}],"ddc":["540"],"date_updated":"2023-12-11T11:55:35Z","publisher":"American Chemical Society","quality_controlled":"1","oa":1,"acknowledgement":"The authors acknowledge the financial support from the National Natural Science Foundation of China (22008211, 92045303, U21A20298), the National Key Research and Development Project of China (2021YFA1500900, 2022YFE0113800), and Zhejiang Innovation Team (2017R5203).","doi":"10.1021/acscatal.3c03893","date_published":"2023-11-06T00:00:00Z","date_created":"2023-12-10T23:00:59Z","page":"15054-15073","day":"06","publication":"ACS Catalysis","has_accepted_license":"1","year":"2023","title":"Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles","author":[{"full_name":"Zhao, Jinyan","last_name":"Zhao","first_name":"Jinyan"},{"first_name":"Zihao","last_name":"Yao","full_name":"Yao, Zihao"},{"id":"91deeae8-1207-11ec-b130-c194ad5b50c6","first_name":"Rhys","last_name":"Bunting","orcid":"0000-0001-6928-074X","full_name":"Bunting, Rhys"},{"last_name":"Hu","full_name":"Hu, P.","first_name":"P."},{"last_name":"Wang","full_name":"Wang, Jianguo","first_name":"Jianguo"}],"article_processing_charge":"Yes (in subscription journal)","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ista":"Zhao J, Yao Z, Bunting R, Hu P, Wang J. 2023. Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. 13(22), 15054–15073.","chicago":"Zhao, Jinyan, Zihao Yao, Rhys Bunting, P. Hu, and Jianguo Wang. “Microkinetic Modeling with Size-Dependent and Adsorbate-Adsorbate Interactions for the Direct Synthesis of H₂O₂ over Pd Nanoparticles.” ACS Catalysis. American Chemical Society, 2023. https://doi.org/10.1021/acscatal.3c03893.","ieee":"J. Zhao, Z. Yao, R. Bunting, P. Hu, and J. Wang, “Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles,” ACS Catalysis, vol. 13, no. 22. American Chemical Society, pp. 15054–15073, 2023.","short":"J. Zhao, Z. Yao, R. Bunting, P. Hu, J. Wang, ACS Catalysis 13 (2023) 15054–15073.","ama":"Zhao J, Yao Z, Bunting R, Hu P, Wang J. Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. 2023;13(22):15054-15073. doi:10.1021/acscatal.3c03893","apa":"Zhao, J., Yao, Z., Bunting, R., Hu, P., & Wang, J. (2023). Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles. ACS Catalysis. American Chemical Society. https://doi.org/10.1021/acscatal.3c03893","mla":"Zhao, Jinyan, et al. “Microkinetic Modeling with Size-Dependent and Adsorbate-Adsorbate Interactions for the Direct Synthesis of H₂O₂ over Pd Nanoparticles.” ACS Catalysis, vol. 13, no. 22, American Chemical Society, 2023, pp. 15054–73, doi:10.1021/acscatal.3c03893."}},{"abstract":[{"text":"In order to demonstrate the stability of newly proposed iridium-based Ir2Cr(In,Sn) and IrRhCr(In,Sn) heusler alloys, we present ab-initio analysis of these alloys by examining various properties to prove their stability. The stability of these alloys can be inferred from different cohesive and formation energies as well as positive phonon frequencies. Their electronic structure results indicate that they are semi-metals in nature. The magnetic moments are computed using the Slater-Pauling formula and exhibit a high value, with the Cr atom contributing the most in all alloys. Mulliken’s charge analysis results show that our alloys contain a range of linkages, mainly ionic and covalent ones. The ductility and mechanical stability of these alloys are confirmed by elastic constants viz. Poisson’s ratio, Pugh’s ratio, and many different types of elastic moduli.","lang":"eng"}],"oa_version":"None","scopus_import":"1","publisher":"Elsevier","quality_controlled":"1","month":"11","intvolume":" 674","publication_identifier":{"issn":["0921-4526"]},"year":"2023","publication_status":"epub_ahead","day":"28","publication":"Physica B: Condensed Matter","language":[{"iso":"eng"}],"volume":674,"date_published":"2023-11-28T00:00:00Z","doi":"10.1016/j.physb.2023.415539","date_created":"2023-12-10T23:00:56Z","_id":"14652","article_number":"415539","article_type":"original","type":"journal_article","status":"public","citation":{"mla":"Gupta, Shyam Lal, et al. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” Physica B: Condensed Matter, vol. 674, 415539, Elsevier, 2023, doi:10.1016/j.physb.2023.415539.","ieee":"S. L. Gupta et al., “Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys,” Physica B: Condensed Matter, vol. 674. Elsevier, 2023.","short":"S.L. Gupta, S. Singh, S. Kumar, U. Anupam, S.S. Thakur, A. Kumar, S. Panwar, D. Diwaker, Physica B: Condensed Matter 674 (2023).","apa":"Gupta, S. L., Singh, S., Kumar, S., Anupam, U., Thakur, S. S., Kumar, A., … Diwaker, D. (2023). Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. Elsevier. https://doi.org/10.1016/j.physb.2023.415539","ama":"Gupta SL, Singh S, Kumar S, et al. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 2023;674. doi:10.1016/j.physb.2023.415539","chicago":"Gupta, Shyam Lal, Saurabh Singh, Sumit Kumar, Unknown Anupam, Samjeet Singh Thakur, Ashish Kumar, Sanjay Panwar, and D. Diwaker. “Ab-Initio Stability of Iridium Based Newly Proposed Full and Quaternary Heusler Alloys.” Physica B: Condensed Matter. Elsevier, 2023. https://doi.org/10.1016/j.physb.2023.415539.","ista":"Gupta SL, Singh S, Kumar S, Anupam U, Thakur SS, Kumar A, Panwar S, Diwaker D. 2023. Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys. Physica B: Condensed Matter. 674, 415539."},"date_updated":"2023-12-12T08:22:23Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Shyam Lal","full_name":"Gupta, Shyam Lal","last_name":"Gupta"},{"last_name":"Singh","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","first_name":"Saurabh"},{"first_name":"Sumit","full_name":"Kumar, Sumit","last_name":"Kumar"},{"first_name":"Unknown","full_name":"Anupam, Unknown","last_name":"Anupam"},{"first_name":"Samjeet Singh","full_name":"Thakur, Samjeet Singh","last_name":"Thakur"},{"first_name":"Ashish","full_name":"Kumar, Ashish","last_name":"Kumar"},{"full_name":"Panwar, Sanjay","last_name":"Panwar","first_name":"Sanjay"},{"full_name":"Diwaker, D.","last_name":"Diwaker","first_name":"D."}],"article_processing_charge":"No","department":[{"_id":"MaIb"}],"title":"Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys"},{"publisher":"Frontiers","quality_controlled":"1","oa":1,"acknowledgement":"This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement No. 813863–BORGES. We further thank the office of the Federal Government of Lower Austria, K3-Group–Culture, Science and Education, for their financial support as part of the project “Responsive Wound Dressing”. We gratefully acknowledge the financial support from the Austrian Research Promotion Agency (FFG; 888067).\r\nWe thank the Electron Microscopy Facility at IST Austria for their support with sputter coating the FO tips and Bernhard Pichler from AIT for software development to facilitate data evaluation.","doi":"10.3389/fphy.2023.1202132","date_published":"2023-07-14T00:00:00Z","date_created":"2023-08-06T22:01:11Z","has_accepted_license":"1","isi":1,"year":"2023","day":"14","publication":"Frontiers in Physics","article_number":"1202132","author":[{"first_name":"Roger","last_name":"Hasler","full_name":"Hasler, Roger"},{"full_name":"Steger-Polt, Marie Helene","last_name":"Steger-Polt","first_name":"Marie Helene"},{"last_name":"Reiner-Rozman","full_name":"Reiner-Rozman, Ciril","first_name":"Ciril"},{"full_name":"Fossati, Stefan","last_name":"Fossati","first_name":"Stefan"},{"last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","first_name":"Seungho"},{"last_name":"Aspermair","full_name":"Aspermair, Patrik","first_name":"Patrik"},{"last_name":"Kleber","full_name":"Kleber, Christoph","first_name":"Christoph"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"full_name":"Dostalek, Jakub","last_name":"Dostalek","first_name":"Jakub"},{"full_name":"Knoll, Wolfgang","last_name":"Knoll","first_name":"Wolfgang"}],"article_processing_charge":"Yes","external_id":{"isi":["001038636400001"]},"title":"Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing","citation":{"ista":"Hasler R, Steger-Polt MH, Reiner-Rozman C, Fossati S, Lee S, Aspermair P, Kleber C, Ibáñez M, Dostalek J, Knoll W. 2023. Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. 11, 1202132.","chicago":"Hasler, Roger, Marie Helene Steger-Polt, Ciril Reiner-Rozman, Stefan Fossati, Seungho Lee, Patrik Aspermair, Christoph Kleber, Maria Ibáñez, Jakub Dostalek, and Wolfgang Knoll. “Optical and Electronic Signal Stabilization of Plasmonic Fiber Optic Gate Electrodes: Towards Improved Real-Time Dual-Mode Biosensing.” Frontiers in Physics. Frontiers, 2023. https://doi.org/10.3389/fphy.2023.1202132.","apa":"Hasler, R., Steger-Polt, M. H., Reiner-Rozman, C., Fossati, S., Lee, S., Aspermair, P., … Knoll, W. (2023). Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. Frontiers. https://doi.org/10.3389/fphy.2023.1202132","ama":"Hasler R, Steger-Polt MH, Reiner-Rozman C, et al. Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing. Frontiers in Physics. 2023;11. doi:10.3389/fphy.2023.1202132","ieee":"R. Hasler et al., “Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing,” Frontiers in Physics, vol. 11. Frontiers, 2023.","short":"R. Hasler, M.H. Steger-Polt, C. Reiner-Rozman, S. Fossati, S. Lee, P. Aspermair, C. Kleber, M. Ibáñez, J. Dostalek, W. Knoll, Frontiers in Physics 11 (2023).","mla":"Hasler, Roger, et al. “Optical and Electronic Signal Stabilization of Plasmonic Fiber Optic Gate Electrodes: Towards Improved Real-Time Dual-Mode Biosensing.” Frontiers in Physics, vol. 11, 1202132, Frontiers, 2023, doi:10.3389/fphy.2023.1202132."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","month":"07","intvolume":" 11","acknowledged_ssus":[{"_id":"EM-Fac"}],"abstract":[{"text":"The use of multimodal readout mechanisms next to label-free real-time monitoring of biomolecular interactions can provide valuable insight into surface-based reaction mechanisms. To this end, the combination of an electrolyte-gated field-effect transistor (EG-FET) with a fiber optic-coupled surface plasmon resonance (FO-SPR) probe serving as gate electrode has been investigated to deconvolute surface mass and charge density variations associated to surface reactions. However, applying an electrochemical potential on such gold-coated FO-SPR gate electrodes can induce gradual morphological changes of the thin gold film, leading to an irreversible blue-shift of the SPR wavelength and a substantial signal drift. We show that mild annealing leads to optical and electronic signal stabilization (20-fold lower signal drift than as-sputtered fiber optic gates) and improved overall analytical performance characteristics. The thermal treatment prevents morphological changes of the thin gold-film occurring during operation, hence providing reliable and stable data immediately upon gate voltage application. Thus, the readout output of both transducing principles, the optical FO-SPR and electronic EG-FET, stays constant throughout the whole sensing time-window and the long-term effect of thermal treatment is also improved, providing stable signals even after 1 year of storage. Annealing should therefore be considered a necessary modification for applying fiber optic gate electrodes in real-time multimodal investigations of surface reactions at the solid-liquid interface.","lang":"eng"}],"oa_version":"Published Version","volume":11,"publication_identifier":{"eissn":["2296-424X"]},"publication_status":"published","file":[{"creator":"dernst","file_size":2421758,"date_updated":"2023-08-07T07:48:11Z","file_name":"2023_FrontiersPhysics_Hasler.pdf","date_created":"2023-08-07T07:48:11Z","relation":"main_file","access_level":"open_access","content_type":"application/pdf","success":1,"file_id":"13978","checksum":"fb36dda665e57bab006a000bf0faacd5"}],"language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"status":"public","_id":"13968","file_date_updated":"2023-08-07T07:48:11Z","department":[{"_id":"MaIb"}],"date_updated":"2023-12-13T12:04:10Z","ddc":["530"]},{"doi":"10.1002/adma.202303719","date_published":"2023-07-24T00:00:00Z","date_created":"2023-10-17T10:52:23Z","isi":1,"year":"2023","day":"24","publication":"Advanced Materials","quality_controlled":"1","publisher":"Wiley","acknowledgement":"The authors acknowledge funding from Generalitat de Catalunya 2021 SGR 01581; the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio de Ciencia e Innovación; the National Natural Science Foundation of China (22102002); the Anhui Provincial Natural Science Foundation (2108085QE192); Zhejiang Province key research and development project (2023C01191); the Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (GrantNo.2022-K31); and The Key Research and Development Program of Hebei Province (20314305D). IREC is funded by the CERCA Programme from the Generalitat de Catalunya. L.L.Y. thanks the China Scholarship Council (CSC) for the scholarship support (202008130132). This research was supported by the Scientific Service Units (SSU) of ISTA (Institute of Science and Technology Austria) through resources provided by the Electron Microscopy Facility (EMF). S.L., S.H., and M.I. acknowledge funding by ISTA and the Werner Siemens.","author":[{"full_name":"He, Ren","last_name":"He","first_name":"Ren"},{"last_name":"Yang","full_name":"Yang, Linlin","first_name":"Linlin"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"full_name":"Jiang, Daochuan","last_name":"Jiang","first_name":"Daochuan"},{"last_name":"Lee","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425","first_name":"Seungho"},{"full_name":"Horta, Sharona","last_name":"Horta","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","first_name":"Sharona"},{"last_name":"Liang","full_name":"Liang, Zhifu","first_name":"Zhifu"},{"full_name":"Lu, Xuan","last_name":"Lu","first_name":"Xuan"},{"first_name":"Ahmad","full_name":"Ostovari Moghaddam, Ahmad","last_name":"Ostovari Moghaddam"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"},{"first_name":"Ying","full_name":"Xu, Ying","last_name":"Xu"},{"first_name":"Yingtang","last_name":"Zhou","full_name":"Zhou, Yingtang"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"external_id":{"isi":["001083876900001"],"pmid":["37487245"]},"article_processing_charge":"No","title":"A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries","citation":{"mla":"He, Ren, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials, 2303719, Wiley, 2023, doi:10.1002/adma.202303719.","apa":"He, R., Yang, L., Zhang, Y., Jiang, D., Lee, S., Horta, S., … Cabot, A. (2023). A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202303719","ama":"He R, Yang L, Zhang Y, et al. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. 2023. doi:10.1002/adma.202303719","short":"R. He, L. Yang, Y. Zhang, D. Jiang, S. Lee, S. Horta, Z. Liang, X. Lu, A. Ostovari Moghaddam, J. Li, M. Ibáñez, Y. Xu, Y. Zhou, A. Cabot, Advanced Materials (2023).","ieee":"R. He et al., “A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries,” Advanced Materials. Wiley, 2023.","chicago":"He, Ren, Linlin Yang, Yu Zhang, Daochuan Jiang, Seungho Lee, Sharona Horta, Zhifu Liang, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials. Wiley, 2023. https://doi.org/10.1002/adma.202303719.","ista":"He R, Yang L, Zhang Y, Jiang D, Lee S, Horta S, Liang Z, Lu X, Ostovari Moghaddam A, Li J, Ibáñez M, Xu Y, Zhou Y, Cabot A. 2023. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials., 2303719."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"article_number":"2303719","publication_identifier":{"issn":["0935-9648","1521-4095"]},"publication_status":"epub_ahead","language":[{"iso":"eng"}],"month":"07","abstract":[{"lang":"eng","text":"High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen evolution and reduction reactions (OER/ORR) as they offer numerous parameters for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW HEA nanoparticles are synthesized using a solution‐based low‐temperature approach. Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions, and modulated electronic structure, leading to superior OER performance with an overpotential of 233 mV at 10 mA cm−2 and 276 mV at 100 mA cm−2. Density functional theory calculations reveal the electronic structures of the FeCoNiMoW active sites with an optimized d‐band center position that enables suitable adsorption of OOH* intermediates and reduces the Gibbs free energy barrier in the OER process. Aqueous zinc–air batteries (ZABs) based on this HEA demonstrate a high open circuit potential of 1.59 V, a peak power density of 116.9 mW cm−2, a specific capacity of 857 mAh gZn−1, and excellent stability for over 660 h of continuous charge–discharge cycles. Flexible and solid ZABs are also assembled and tested, displaying excellent charge–discharge performance at different bending angles. This work shows the significance of 4d/5d metal‐modulated electronic structure and optimized adsorption ability to improve the performance of OER/ORR, ZABs, and beyond."}],"acknowledged_ssus":[{"_id":"EM-Fac"}],"pmid":1,"oa_version":"None","department":[{"_id":"MaIb"}],"date_updated":"2023-12-13T13:03:23Z","type":"journal_article","article_type":"original","status":"public","keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"_id":"14434"},{"date_updated":"2023-12-13T13:03:53Z","citation":{"chicago":"Zeng, Guifang, Qing Sun, Sharona Horta, Shang Wang, Xuan Lu, Chaoyue Zhang, Jing Li, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials. Wiley, n.d. https://doi.org/10.1002/adma.202305128.","ista":"Zeng G, Sun Q, Horta S, Wang S, Lu X, Zhang C, Li J, Li J, Ci L, Tian Y, Ibáñez M, Cabot A. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials., 2305128.","mla":"Zeng, Guifang, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials, 2305128, Wiley, doi:10.1002/adma.202305128.","ieee":"G. Zeng et al., “A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries,” Advanced Materials. Wiley.","short":"G. Zeng, Q. Sun, S. Horta, S. Wang, X. Lu, C. Zhang, J. Li, J. Li, L. Ci, Y. Tian, M. Ibáñez, A. Cabot, Advanced Materials (n.d.).","ama":"Zeng G, Sun Q, Horta S, et al. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. doi:10.1002/adma.202305128","apa":"Zeng, G., Sun, Q., Horta, S., Wang, S., Lu, X., Zhang, C., … Cabot, A. (n.d.). A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202305128"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"isi":["001085681000001"],"pmid":["37555532"]},"article_processing_charge":"No","author":[{"full_name":"Zeng, Guifang","last_name":"Zeng","first_name":"Guifang"},{"last_name":"Sun","full_name":"Sun, Qing","first_name":"Qing"},{"last_name":"Horta","full_name":"Horta, Sharona","first_name":"Sharona","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc"},{"first_name":"Shang","last_name":"Wang","full_name":"Wang, Shang"},{"last_name":"Lu","full_name":"Lu, Xuan","first_name":"Xuan"},{"first_name":"Chaoyue","full_name":"Zhang, Chaoyue","last_name":"Zhang"},{"first_name":"Jing","last_name":"Li","full_name":"Li, Jing"},{"first_name":"Junshan","last_name":"Li","full_name":"Li, Junshan"},{"first_name":"Lijie","last_name":"Ci","full_name":"Ci, Lijie"},{"first_name":"Yanhong","full_name":"Tian, Yanhong","last_name":"Tian"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"department":[{"_id":"MaIb"}],"title":"A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries","_id":"14435","article_number":"2305128","article_type":"original","type":"journal_article","keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"status":"public","publication_status":"accepted","year":"2023","publication_identifier":{"issn":["0935-9648"],"eissn":["1521-4095"]},"isi":1,"publication":"Advanced Materials","language":[{"iso":"eng"}],"day":"09","date_created":"2023-10-17T10:53:56Z","doi":"10.1002/adma.202305128","date_published":"2023-08-09T00:00:00Z","abstract":[{"text":"Low‐cost, safe, and environmental‐friendly rechargeable aqueous zinc‐ion batteries (ZIBs) are promising as next‐generation energy storage devices for wearable electronics among other applications. However, sluggish ionic transport kinetics and the unstable electrode structure during ionic insertion/extraction hampers their deployment. Herein, we propose a new cathode material based on a layered metal chalcogenide (LMC), bismuth telluride (Bi2Te3), coated with polypyrrole (PPy). Taking advantage of the PPy coating, the Bi2Te3@PPy composite presents strong ionic absorption affinity, high oxidation resistance, and high structural stability. The ZIBs based on Bi2Te3@PPy cathodes exhibit high capacities and ultra‐long lifespans of over 5000 cycles. They also present outstanding stability even under bending. In addition, we analyze here the reaction mechanism using in situ X‐ray diffraction, X‐ray photoelectron spectroscopy, and computational tools and demonstrate that, in the aqueous system, Zn2+ is not inserted into the cathode as previously assumed. In contrast, proton charge storage dominates the process. Overall, this work not only shows the great potential of LMCs as ZIBs cathode materials and the advantages of PPy coating, but also clarifies the charge/discharge mechanism in rechargeable ZIBs based on LMCs.","lang":"eng"}],"pmid":1,"oa_version":"None","publisher":"Wiley","quality_controlled":"1","month":"08"},{"author":[{"last_name":"Mollania","full_name":"Mollania, Hamid","first_name":"Hamid"},{"first_name":"Chaoqi","last_name":"Zhang","full_name":"Zhang, Chaoqi"},{"last_name":"Du","full_name":"Du, Ruifeng","first_name":"Ruifeng"},{"first_name":"Xueqiang","full_name":"Qi, Xueqiang","last_name":"Qi"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"last_name":"Horta","full_name":"Horta, Sharona","first_name":"Sharona","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"last_name":"Keller","full_name":"Keller, Caroline","first_name":"Caroline"},{"full_name":"Chenevier, Pascale","last_name":"Chenevier","first_name":"Pascale"},{"full_name":"Oloomi-Buygi, Majid","last_name":"Oloomi-Buygi","first_name":"Majid"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"article_processing_charge":"No","title":"Nanostructured Li₂S cathodes for silicon-sulfur batteries","citation":{"mla":"Mollania, Hamid, et al. “Nanostructured Li₂S Cathodes for Silicon-Sulfur Batteries.” ACS Applied Materials and Interfaces, vol. 15, no. 50, American Chemical Society, 2023, pp. 58462–58475, doi:10.1021/acsami.3c14072.","apa":"Mollania, H., Zhang, C., Du, R., Qi, X., Li, J., Horta, S., … Cabot, A. (2023). Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.3c14072","ama":"Mollania H, Zhang C, Du R, et al. Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. 2023;15(50):58462–58475. doi:10.1021/acsami.3c14072","ieee":"H. Mollania et al., “Nanostructured Li₂S cathodes for silicon-sulfur batteries,” ACS Applied Materials and Interfaces, vol. 15, no. 50. American Chemical Society, pp. 58462–58475, 2023.","short":"H. Mollania, C. Zhang, R. Du, X. Qi, J. Li, S. Horta, M. Ibáñez, C. Keller, P. Chenevier, M. Oloomi-Buygi, A. Cabot, ACS Applied Materials and Interfaces 15 (2023) 58462–58475.","chicago":"Mollania, Hamid, Chaoqi Zhang, Ruifeng Du, Xueqiang Qi, Junshan Li, Sharona Horta, Maria Ibáñez, et al. “Nanostructured Li₂S Cathodes for Silicon-Sulfur Batteries.” ACS Applied Materials and Interfaces. American Chemical Society, 2023. https://doi.org/10.1021/acsami.3c14072.","ista":"Mollania H, Zhang C, Du R, Qi X, Li J, Horta S, Ibáñez M, Keller C, Chenevier P, Oloomi-Buygi M, Cabot A. 2023. Nanostructured Li₂S cathodes for silicon-sulfur batteries. ACS Applied Materials and Interfaces. 15(50), 58462–58475."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"58462–58475","doi":"10.1021/acsami.3c14072","date_published":"2023-12-05T00:00:00Z","date_created":"2023-12-31T23:01:03Z","year":"2023","day":"05","publication":"ACS Applied Materials and Interfaces","quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"The authors acknowledge the support from the 2BoSS project of the ERA-MIN3 program with the Spanish grant number PCI2022-132985/AEI/10.13039/501100011033 and the French grant number ANR-22-MIN3-0003-01. J.L. acknowledges the support from the Natural Science Foundation of Sichuan Province 2022NSFSC1229. The authors acknowledge the funding from Generalitat de Catalunya 2021 SGR 01581 and European Union NextGenerationEU/PRTR. This research was supported by the Scientific Service Units (SSU) of ISTA Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF).","department":[{"_id":"MaIb"}],"date_updated":"2024-01-02T08:35:06Z","type":"journal_article","article_type":"original","status":"public","_id":"14719","volume":15,"issue":"50","publication_identifier":{"issn":["1944-8244"],"eissn":["1944-8252"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","month":"12","intvolume":" 15","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"abstract":[{"lang":"eng","text":"Lithium–sulfur batteries are regarded as an advantageous option for meeting the growing demand for high-energy-density storage, but their commercialization relies on solving the current limitations of both sulfur cathodes and lithium metal anodes. In this scenario, the implementation of lithium sulfide (Li2S) cathodes compatible with alternative anode materials such as silicon has the potential to alleviate the safety concerns associated with lithium metal. In this direction, here, we report a sulfur cathode based on Li2S nanocrystals grown on a catalytic host consisting of CoFeP nanoparticles supported on tubular carbon nitride. Nanosized Li2S is incorporated into the host by a scalable liquid infiltration–evaporation method. Theoretical calculations and experimental results demonstrate that the CoFeP–CN composite can boost the polysulfide adsorption/conversion reaction kinetics and strongly reduce the initial overpotential activation barrier by stretching the Li–S bonds of Li2S. Besides, the ultrasmall size of the Li2S particles in the Li2S–CoFeP–CN composite cathode facilitates the initial activation. Overall, the Li2S–CoFeP–CN electrodes exhibit a low activation barrier of 2.56 V, a high initial capacity of 991 mA h gLi2S–1, and outstanding cyclability with a small fading rate of 0.029% per cycle over 800 cycles. Moreover, Si/Li2S full cells are assembled using the nanostructured Li2S–CoFeP–CN cathode and a prelithiated anode based on graphite-supported silicon nanowires. These Si/Li2S cells demonstrate high initial discharge capacities above 900 mA h gLi2S–1 and good cyclability with a capacity fading rate of 0.28% per cycle over 150 cycles."}],"oa_version":"None"},{"type":"journal_article","article_type":"original","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"status":"public","_id":"14734","external_id":{"pmid":["38152986"]},"article_processing_charge":"No","author":[{"full_name":"Wan, Shanhong","last_name":"Wan","first_name":"Shanhong"},{"full_name":"Xiao, Shanshan","last_name":"Xiao","first_name":"Shanshan"},{"last_name":"Li","full_name":"Li, Mingquan","first_name":"Mingquan"},{"full_name":"Wang, Xin","last_name":"Wang","first_name":"Xin"},{"full_name":"Lim, Khak Ho","last_name":"Lim","first_name":"Khak Ho"},{"full_name":"Hong, Min","last_name":"Hong","first_name":"Min"},{"last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","last_name":"Liu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740"}],"department":[{"_id":"MaIb"}],"title":"Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4","citation":{"short":"S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot, Y. Liu, Small Methods (2023).","ieee":"S. Wan et al., “Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4,” Small Methods. Wiley, 2023.","apa":"Wan, S., Xiao, S., Li, M., Wang, X., Lim, K. H., Hong, M., … Liu, Y. (2023). Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods. Wiley. https://doi.org/10.1002/smtd.202301377","ama":"Wan S, Xiao S, Li M, et al. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods. 2023. doi:10.1002/smtd.202301377","mla":"Wan, Shanhong, et al. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” Small Methods, Wiley, 2023, doi:10.1002/smtd.202301377.","ista":"Wan S, Xiao S, Li M, Wang X, Lim KH, Hong M, Ibáñez M, Cabot A, Liu Y. 2023. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods.","chicago":"Wan, Shanhong, Shanshan Xiao, Mingquan Li, Xin Wang, Khak Ho Lim, Min Hong, Maria Ibáñez, Andreu Cabot, and Yu Liu. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” Small Methods. Wiley, 2023. https://doi.org/10.1002/smtd.202301377."},"date_updated":"2024-01-08T09:17:04Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publisher":"Wiley","scopus_import":"1","quality_controlled":"1","month":"12","abstract":[{"lang":"eng","text":"Developing cost-effective and high-performance thermoelectric (TE) materials to assemble efficient TE devices presents a multitude of challenges and opportunities. Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant elements. However, the challenge lies in its poor electrical conductivity. Herein, an efficient and scalable solution-based approach is developed to synthesize high-quality Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement and annealing treatments, the dried powders are consolidated into dense pellets, and their TE properties are investigated. Pb doping effectively increases the charge carrier concentration, resulting in a significant increase in electrical conductivity, while the Seebeck coefficients remain consistently high. The calculated band structure shows that Pb doping induces band convergence, thereby increasing the effective mass. Furthermore, the large ionic radius of Pb2+ results in the generation of additional point and plane defects and interphases, dramatically enhancing phonon scattering, which significantly decreases the lattice thermal conductivity at high temperatures. Overall, a maximum figure of merit (zTmax) ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based materials produced by solid-state, demonstrating advantages of versatility and cost-effectiveness using a solution-based technology."}],"acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","oa_version":"None","pmid":1,"date_created":"2024-01-07T23:00:51Z","date_published":"2023-12-28T00:00:00Z","doi":"10.1002/smtd.202301377","publication_status":"epub_ahead","year":"2023","publication_identifier":{"eissn":["2366-9608"]},"language":[{"iso":"eng"}],"publication":"Small Methods","day":"28"},{"oa":1,"publisher":"AIP Publishing","quality_controlled":"1","acknowledgement":"This work received financial support partially from Japan Science and Technology Agency (JST) CREST Grant No. JPMJCR18I2, Japan. The powder-XRD experiments were conducted at BL5S2 of Aichi Synchrotron Radiation Center, Aichi Science & Technology Foundation, Aichi, Japan (Proposal No. 202301057).","date_created":"2024-01-10T09:26:08Z","doi":"10.1063/5.0171888","date_published":"2023-12-01T00:00:00Z","year":"2023","has_accepted_license":"1","isi":1,"publication":"AIP Advances","day":"01","article_number":"125206","external_id":{"isi":["001114917200005"]},"article_processing_charge":"Yes","author":[{"first_name":"Kosuke","last_name":"Sato","full_name":"Sato, Kosuke"},{"id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","first_name":"Saurabh","full_name":"Singh, Saurabh","orcid":"0000-0003-2209-5269","last_name":"Singh"},{"first_name":"Itsuki","last_name":"Yamazaki","full_name":"Yamazaki, Itsuki"},{"first_name":"Keisuke","last_name":"Hirata","full_name":"Hirata, Keisuke"},{"full_name":"Ang, Artoni Kevin R.","last_name":"Ang","first_name":"Artoni Kevin R."},{"last_name":"Matsunami","full_name":"Matsunami, Masaharu","first_name":"Masaharu"},{"full_name":"Takeuchi, Tsunehiro","last_name":"Takeuchi","first_name":"Tsunehiro"}],"title":"Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag","citation":{"chicago":"Sato, Kosuke, Saurabh Singh, Itsuki Yamazaki, Keisuke Hirata, Artoni Kevin R. Ang, Masaharu Matsunami, and Tsunehiro Takeuchi. “Improvement of Thermoelectric Performance of Flexible Compound Ag2S0.55Se0.45 by Means of Partial V-Substitution for Ag.” AIP Advances. AIP Publishing, 2023. https://doi.org/10.1063/5.0171888.","ista":"Sato K, Singh S, Yamazaki I, Hirata K, Ang AKR, Matsunami M, Takeuchi T. 2023. Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. 13(12), 125206.","mla":"Sato, Kosuke, et al. “Improvement of Thermoelectric Performance of Flexible Compound Ag2S0.55Se0.45 by Means of Partial V-Substitution for Ag.” AIP Advances, vol. 13, no. 12, 125206, AIP Publishing, 2023, doi:10.1063/5.0171888.","short":"K. Sato, S. Singh, I. Yamazaki, K. Hirata, A.K.R. Ang, M. Matsunami, T. Takeuchi, AIP Advances 13 (2023).","ieee":"K. Sato et al., “Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag,” AIP Advances, vol. 13, no. 12. AIP Publishing, 2023.","apa":"Sato, K., Singh, S., Yamazaki, I., Hirata, K., Ang, A. K. R., Matsunami, M., & Takeuchi, T. (2023). Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. AIP Publishing. https://doi.org/10.1063/5.0171888","ama":"Sato K, Singh S, Yamazaki I, et al. Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag. AIP Advances. 2023;13(12). doi:10.1063/5.0171888"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 13","month":"12","abstract":[{"text":"The effects of the partial V-substitution for Ag on the thermoelectric (TE) properties are investigated for a flexible semiconducting compound Ag2S0.55Se0.45. Density functional theory calculations predict that such a partial V-substitution constructively modifies the electronic structure near the bottom of the conduction band to improve the TE performance. The synthesized Ag1.97V0.03S0.55Se0.45 is found to possess a TE dimensionless figure-of-merit (ZT) of 0.71 at 350 K with maintaining its flexible nature. This ZT value is relatively high in comparison with those reported for flexible TE materials below 360 K. The increase in the ZT value is caused by the enhanced absolute value of the Seebeck coefficient with less significant variation in electrical resistivity. The high ZT value with the flexible nature naturally allows us to employ the Ag1.97V0.03S0.55Se0.45 as a component of flexible TE generators.","lang":"eng"}],"oa_version":"Published Version","issue":"12","volume":13,"publication_status":"published","publication_identifier":{"eissn":["2158-3226"]},"language":[{"iso":"eng"}],"file":[{"content_type":"application/pdf","relation":"main_file","access_level":"open_access","success":1,"checksum":"a7098388b8ff822b47f5ddd37ed3bdbc","file_id":"14792","file_size":9676071,"date_updated":"2024-01-10T13:47:31Z","creator":"dernst","file_name":"2023_AIPAdvances_Sato.pdf","date_created":"2024-01-10T13:47:31Z"}],"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","keyword":["General Physics and Astronomy"],"status":"public","_id":"14777","department":[{"_id":"MaIb"}],"file_date_updated":"2024-01-10T13:47:31Z","date_updated":"2024-01-10T13:49:09Z","ddc":["540"]},{"author":[{"first_name":"Neelima","last_name":"Mahato","full_name":"Mahato, Neelima"},{"last_name":"Singh","orcid":"0000-0003-2209-5269","full_name":"Singh, Saurabh","id":"12d625da-9cb3-11ed-9667-af09d37d3f0a","first_name":"Saurabh"},{"first_name":"Mohammad","last_name":"Faisal","full_name":"Faisal, Mohammad"},{"first_name":"T. V.M.","full_name":"Sreekanth, T. V.M.","last_name":"Sreekanth"},{"full_name":"Majumder, Sutripto","last_name":"Majumder","first_name":"Sutripto"},{"last_name":"Yoo","full_name":"Yoo, Kisoo","first_name":"Kisoo"},{"last_name":"Kim","full_name":"Kim, Jonghoon","first_name":"Jonghoon"}],"article_processing_charge":"No","external_id":{"isi":["001083568900001"]},"title":"Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite","citation":{"chicago":"Mahato, Neelima, Saurabh Singh, Mohammad Faisal, T. V.M. Sreekanth, Sutripto Majumder, Kisoo Yoo, and Jonghoon Kim. “Polycrystalline Phases Grown In-Situ Engendering Unique Mechanism of Charge Storage in Polyaniline-Graphite Composite.” Synthetic Metals. Elsevier, 2023. https://doi.org/10.1016/j.synthmet.2023.117463.","ista":"Mahato N, Singh S, Faisal M, Sreekanth TVM, Majumder S, Yoo K, Kim J. 2023. Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. 299, 117463.","mla":"Mahato, Neelima, et al. “Polycrystalline Phases Grown In-Situ Engendering Unique Mechanism of Charge Storage in Polyaniline-Graphite Composite.” Synthetic Metals, vol. 299, 117463, Elsevier, 2023, doi:10.1016/j.synthmet.2023.117463.","short":"N. Mahato, S. Singh, M. Faisal, T.V.M. Sreekanth, S. Majumder, K. Yoo, J. Kim, Synthetic Metals 299 (2023).","ieee":"N. Mahato et al., “Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite,” Synthetic Metals, vol. 299. Elsevier, 2023.","ama":"Mahato N, Singh S, Faisal M, et al. Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. 2023;299. doi:10.1016/j.synthmet.2023.117463","apa":"Mahato, N., Singh, S., Faisal, M., Sreekanth, T. V. M., Majumder, S., Yoo, K., & Kim, J. (2023). Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite. Synthetic Metals. Elsevier. https://doi.org/10.1016/j.synthmet.2023.117463"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_number":"117463","date_published":"2023-11-01T00:00:00Z","doi":"10.1016/j.synthmet.2023.117463","date_created":"2023-10-01T22:01:13Z","isi":1,"year":"2023","day":"01","publication":"Synthetic Metals","publisher":"Elsevier","quality_controlled":"1","acknowledgement":"This work was supported by 2023 Yeungnam University Research Grant.","department":[{"_id":"MaIb"}],"date_updated":"2024-01-30T13:55:50Z","article_type":"original","type":"journal_article","status":"public","_id":"14379","volume":299,"publication_identifier":{"issn":["0379-6779"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","month":"11","intvolume":" 299","abstract":[{"lang":"eng","text":"We report on a simple surfactant/template free chemical route for the synthesis of semi-polycrystalline polyaniline-graphite (SPani-graphite) composite and its application as an electroactive material in electrochemical charge storage. The synthesized material exhibits well-defined poly-crystallographic lattices in high resolution transmission electron micrographs and sharp peaks in x-ray diffraction spectra suggesting crystalline nature of the material. The specific capacitance computed from the galvanostatic charge-discharge (GCD) data obtained from 3-electrode cell configuration using 1 M aq. Na2SO4 as an electrolyte was 111.4 F g−1 at a current density of 0.1 A g−1 which rises to 269 F g−1 at an elevated current density of 1.0 A g−1. A similar pattern of increase in the specific capacitance values with an increase in the current density was observed in the results obtained from 2-electrode symmetric device configuration using polymer gel electrolyte (xanthan gum in 1 M aq. Na2SO4). The specific capacitance computed from the GCD data obtained from the device configuration was 20 F g−1 at the current density of 1.0 A g−1. The device delivers an energy density of 1.7 Wh kg−1 and a power density of 2.48 kWh kg−1 at an applied current density of 0.5 A g−1 suggesting an excellent rate capability and power management. In addition, the device exhibits ⁓92 % specific capacitance retention up to 8000 continuous GCD cycles and ⁓80 % coulombic efficiency up to 10,000 continuous GCD cycles indicating excellent cycling stability. The unique feature of increasing specific capacitance with respect to applied current density is attributed to the presence of semi-polycrystalline phases in the SPani-graphite matrix. The material behaves as a surface redox supercapacitor and its unique mechanism of charge storage is discussed in detail in the article."}],"oa_version":"None"},{"intvolume":" 2","month":"01","oa_version":"Published Version","abstract":[{"text":"Lead sulfide (PbS) presents large potential in thermoelectric application due to its earth-abundant S element. However, its inferior average ZT (ZTave) value makes PbS less competitive with its analogs PbTe and PbSe. To promote its thermoelectric performance, this study implements strategies of continuous Se alloying and Cu interstitial doping to synergistically tune thermal and electrical transport properties in n-type PbS. First, the lattice parameter of 5.93 Å in PbS is linearly expanded to 6.03 Å in PbS0.5Se0.5 with increasing Se alloying content. This expanded lattice in Se-alloyed PbS not only intensifies phonon scattering but also facilitates the formation of Cu interstitials. Based on the PbS0.6Se0.4 content with the minimal lattice thermal conductivity, Cu interstitials are introduced to improve the electron density, thus boosting the peak power factor, from 3.88 μW cm−1 K−2 in PbS0.6Se0.4 to 20.58 μW cm−1 K−2 in PbS0.6Se0.4−1%Cu. Meanwhile, the lattice thermal conductivity in PbS0.6Se0.4−x%Cu (x = 0–2) is further suppressed due to the strong strain field caused by Cu interstitials. Finally, with the lowered thermal conductivity and high electrical transport properties, a peak ZT ~1.1 and ZTave ~0.82 can be achieved in PbS0.6Se0.4 − 1%Cu at 300–773K, which outperforms previously reported n-type PbS.","lang":"eng"}],"issue":"1","volume":2,"language":[{"iso":"eng"}],"file":[{"checksum":"7b5e8210ef1434feb173022c6dbbee0c","file_id":"15015","success":1,"access_level":"open_access","relation":"main_file","content_type":"application/pdf","date_created":"2024-02-19T09:58:32Z","file_name":"2023_InterdiscMaterials_Liu.pdf","creator":"dernst","date_updated":"2024-02-19T09:58:32Z","file_size":4675941}],"publication_status":"published","publication_identifier":{"eissn":["2767-441X"]},"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","_id":"14985","file_date_updated":"2024-02-19T09:58:32Z","department":[{"_id":"MaIb"}],"ddc":["540"],"date_updated":"2024-02-19T10:01:26Z","oa":1,"quality_controlled":"1","publisher":"Wiley","acknowledgement":"The authors would like to acknowledge the strong supportof microstructure observation from Center for HighPressure Science and Technology Advanced Research(HPSTAR). We acknowledge the financial support fromthe National Natural Science Foundation of China:52172236, the Fundamental Research Funds for theCentral Universities: xtr042021007, Top Young TalentsProgramme of Xi'an Jiaotong University and NationalScience Fund for Distinguished Young Scholars: 51925101.","date_created":"2024-02-14T12:12:17Z","doi":"10.1002/idm2.12056","date_published":"2023-01-01T00:00:00Z","page":"161-170","publication":"Interdisciplinary Materials","day":"01","year":"2023","has_accepted_license":"1","title":"Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS","article_processing_charge":"Yes","author":[{"full_name":"Liu, Zhengtao","last_name":"Liu","first_name":"Zhengtao"},{"last_name":"Hong","full_name":"Hong, Tao","first_name":"Tao"},{"first_name":"Liqing","full_name":"Xu, Liqing","last_name":"Xu"},{"first_name":"Sining","last_name":"Wang","full_name":"Wang, Sining"},{"full_name":"Gao, Xiang","last_name":"Gao","first_name":"Xiang"},{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"first_name":"Xiangdong","full_name":"Ding, Xiangdong","last_name":"Ding"},{"last_name":"Xiao","full_name":"Xiao, Yu","first_name":"Yu"},{"last_name":"Zhao","full_name":"Zhao, Li‐Dong","first_name":"Li‐Dong"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ista":"Liu Z, Hong T, Xu L, Wang S, Gao X, Chang C, Ding X, Xiao Y, Zhao L. 2023. Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. 2(1), 161–170.","chicago":"Liu, Zhengtao, Tao Hong, Liqing Xu, Sining Wang, Xiang Gao, Cheng Chang, Xiangdong Ding, Yu Xiao, and Li‐Dong Zhao. “Lattice Expansion Enables Interstitial Doping to Achieve a High Average ZT in N‐type PbS.” Interdisciplinary Materials. Wiley, 2023. https://doi.org/10.1002/idm2.12056.","short":"Z. Liu, T. Hong, L. Xu, S. Wang, X. Gao, C. Chang, X. Ding, Y. Xiao, L. Zhao, Interdisciplinary Materials 2 (2023) 161–170.","ieee":"Z. Liu et al., “Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS,” Interdisciplinary Materials, vol. 2, no. 1. Wiley, pp. 161–170, 2023.","ama":"Liu Z, Hong T, Xu L, et al. Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. 2023;2(1):161-170. doi:10.1002/idm2.12056","apa":"Liu, Z., Hong, T., Xu, L., Wang, S., Gao, X., Chang, C., … Zhao, L. (2023). Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS. Interdisciplinary Materials. Wiley. https://doi.org/10.1002/idm2.12056","mla":"Liu, Zhengtao, et al. “Lattice Expansion Enables Interstitial Doping to Achieve a High Average ZT in N‐type PbS.” Interdisciplinary Materials, vol. 2, no. 1, Wiley, 2023, pp. 161–70, doi:10.1002/idm2.12056."}},{"title":"Inkjet printing of epitaxially connected nanocrystal superlattices","author":[{"id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E","first_name":"Daniel","orcid":"0000-0001-7597-043X","full_name":"Balazs, Daniel","last_name":"Balazs"},{"first_name":"N. Deniz","last_name":"Erkan","full_name":"Erkan, N. Deniz"},{"first_name":"Michelle","last_name":"Quien","full_name":"Quien, Michelle"},{"full_name":"Hanrath, Tobias","last_name":"Hanrath","first_name":"Tobias"}],"article_processing_charge":"No","external_id":{"isi":["000735340300001"]},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ista":"Balazs D, Erkan ND, Quien M, Hanrath T. 2022. Inkjet printing of epitaxially connected nanocrystal superlattices. Nano Research. 15(5), 4536–4543.","chicago":"Balazs, Daniel, N. Deniz Erkan, Michelle Quien, and Tobias Hanrath. “Inkjet Printing of Epitaxially Connected Nanocrystal Superlattices.” Nano Research. Springer Nature, 2022. https://doi.org/10.1007/s12274-021-4022-7.","ama":"Balazs D, Erkan ND, Quien M, Hanrath T. Inkjet printing of epitaxially connected nanocrystal superlattices. Nano Research. 2022;15(5):4536–4543. doi:10.1007/s12274-021-4022-7","apa":"Balazs, D., Erkan, N. D., Quien, M., & Hanrath, T. (2022). Inkjet printing of epitaxially connected nanocrystal superlattices. Nano Research. Springer Nature. https://doi.org/10.1007/s12274-021-4022-7","ieee":"D. Balazs, N. D. Erkan, M. Quien, and T. Hanrath, “Inkjet printing of epitaxially connected nanocrystal superlattices,” Nano Research, vol. 15, no. 5. Springer Nature, pp. 4536–4543, 2022.","short":"D. Balazs, N.D. Erkan, M. Quien, T. Hanrath, Nano Research 15 (2022) 4536–4543.","mla":"Balazs, Daniel, et al. “Inkjet Printing of Epitaxially Connected Nanocrystal Superlattices.” Nano Research, vol. 15, no. 5, Springer Nature, 2022, pp. 4536–4543, doi:10.1007/s12274-021-4022-7."},"publisher":"Springer Nature","quality_controlled":"1","oa":1,"acknowledgement":"This project was supported by the US Department of Energy through award (No. DE-SC0018026). The work was performed in part at the Cornell NanoScale Facility, a member of the National Nanotechnology Coordinated Infrastructure (NNCI), which is supported by the National Science Foundation (No. NNCI-1542081) and in part at the Cornell Center for Materials Research with funding from the NSF MRSEC program (No. DMR-1719875). The authors thank Beth Rhodes for the technical assistance with inkjet printing, and E. Peretz and Q. Wen for the early exploratory experiments.","date_published":"2022-05-01T00:00:00Z","doi":"10.1007/s12274-021-4022-7","date_created":"2022-01-02T23:01:34Z","page":"4536–4543","day":"01","publication":"Nano Research","isi":1,"year":"2022","status":"public","keyword":["interfacial assembly","colloidal nanocrystal","superlattice","inkjet printing"],"type":"journal_article","article_type":"original","_id":"10587","department":[{"_id":"MaIb"}],"date_updated":"2023-08-02T13:47:21Z","month":"05","intvolume":" 15","scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://www.osti.gov/biblio/1837946"}],"oa_version":"Submitted Version","abstract":[{"lang":"eng","text":"Access to a blossoming library of colloidal nanomaterials provides building blocks for complex assembled materials. The journey to bring these prospects to fruition stands to benefit from the application of advanced processing methods. Epitaxially connected nanocrystal (or quantum dot) superlattices present a captivating model system for mesocrystals with intriguing emergent properties. The conventional processing approach to creating these materials involves assembling and attaching the constituent nanocrystals at the interface between two immiscible fluids. Processing small liquid volumes of the colloidal nanocrystal solution involves several complexities arising from the concurrent spreading, evaporation, assembly, and attachment. The ability of inkjet printers to deliver small (typically picoliter) liquid volumes with precise positioning is attractive to advance fundamental insights into the processing science, and thereby potentially enable new routes to incorporate the epitaxially connected superlattices into technology platforms. In this study, we identified the processing window of opportunity, including nanocrystal ink formulation and printing approach to enable delivery of colloidal nanocrystals from an inkjet nozzle onto the surface of a sessile droplet of the immiscible subphase. We demonstrate how inkjet printing can be scaled-down to enable the fabrication of epitaxially connected superlattices on patterned sub-millimeter droplets. We anticipate that insights from this work will spur on future advances to enable more mechanistic insights into the assembly processes and new avenues to create high-fidelity superlattices."}],"issue":"5","volume":15,"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1998-0000"],"issn":["1998-0124"]},"publication_status":"published"},{"_id":"10042","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","keyword":["tin selenide","nanocomposite","grain growth","Zener pinning","thermoelectricity","annealing","solution processing"],"status":"public","date_updated":"2023-08-02T14:41:05Z","ddc":["540"],"department":[{"_id":"MaIb"}],"file_date_updated":"2022-03-02T16:17:29Z","abstract":[{"lang":"eng","text":"SnSe has emerged as one of the most promising materials for thermoelectric energy conversion due to its extraordinary performance in its single-crystal form and its low-cost constituent elements. However, to achieve an economic impact, the polycrystalline counterpart needs to replicate the performance of the single crystal. Herein, we optimize the thermoelectric performance of polycrystalline SnSe produced by consolidating solution-processed and surface-engineered SnSe particles. In particular, the SnSe particles are coated with CdSe molecular complexes that crystallize during the sintering process, forming CdSe nanoparticles. The presence of CdSe nanoparticles inhibits SnSe grain growth during the consolidation step due to Zener pinning, yielding a material with a high density of grain boundaries. Moreover, the resulting SnSe–CdSe nanocomposites present a large number of defects at different length scales, which significantly reduce the thermal conductivity. The produced SnSe–CdSe nanocomposites exhibit thermoelectric figures of merit up to 2.2 at 786 K, which is among the highest reported for solution-processed SnSe."}],"oa_version":"Published Version","pmid":1,"scopus_import":"1","intvolume":" 16","month":"01","publication_status":"published","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"language":[{"iso":"eng"}],"file":[{"creator":"cchlebak","date_updated":"2022-03-02T16:17:29Z","file_size":9050764,"date_created":"2022-03-02T16:17:29Z","file_name":"2022_ACSNano_Liu.pdf","access_level":"open_access","relation":"main_file","content_type":"application/pdf","file_id":"10808","checksum":"74f9c1aa5f95c0b992a4328e8e0247b4","success":1}],"ec_funded":1,"related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"12885"}]},"volume":16,"issue":"1","project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"},{"name":"International IST Doctoral Program","grant_number":"665385","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"}],"citation":{"mla":"Liu, Yu, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” ACS Nano, vol. 16, no. 1, American Chemical Society , 2022, pp. 78–88, doi:10.1021/acsnano.1c06720.","ieee":"Y. Liu et al., “Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance,” ACS Nano, vol. 16, no. 1. American Chemical Society , pp. 78–88, 2022.","short":"Y. Liu, M. Calcabrini, Y. Yu, S. Lee, C. Chang, J. David, T. Ghosh, M.C. Spadaro, C. Xie, O. Cojocaru-Mirédin, J. Arbiol, M. Ibáñez, ACS Nano 16 (2022) 78–88.","ama":"Liu Y, Calcabrini M, Yu Y, et al. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. 2022;16(1):78-88. doi:10.1021/acsnano.1c06720","apa":"Liu, Y., Calcabrini, M., Yu, Y., Lee, S., Chang, C., David, J., … Ibáñez, M. (2022). Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. American Chemical Society . https://doi.org/10.1021/acsnano.1c06720","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Seungho Lee, Cheng Chang, Jérémy David, Tanmoy Ghosh, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” ACS Nano. American Chemical Society , 2022. https://doi.org/10.1021/acsnano.1c06720.","ista":"Liu Y, Calcabrini M, Yu Y, Lee S, Chang C, David J, Ghosh T, Spadaro MC, Xie C, Cojocaru-Mirédin O, Arbiol J, Ibáñez M. 2022. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. 16(1), 78–88."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","external_id":{"isi":["000767223400008"],"pmid":["34549956"]},"article_processing_charge":"Yes (via OA deal)","author":[{"last_name":"Liu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Calcabrini","full_name":"Calcabrini, Mariano","first_name":"Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Yuan","last_name":"Yu","full_name":"Yu, Yuan"},{"first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","last_name":"Lee"},{"first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang"},{"full_name":"David, Jérémy","last_name":"David","first_name":"Jérémy"},{"id":"a5fc9bc3-feff-11ea-93fe-e8015a3c7e9d","first_name":"Tanmoy","full_name":"Ghosh, Tanmoy","last_name":"Ghosh"},{"full_name":"Spadaro, Maria Chiara","last_name":"Spadaro","first_name":"Maria Chiara"},{"last_name":"Xie","full_name":"Xie, Chenyang","first_name":"Chenyang"},{"first_name":"Oana","full_name":"Cojocaru-Mirédin, Oana","last_name":"Cojocaru-Mirédin"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"}],"title":"Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance","acknowledgement":"This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. S.L. and M.C. received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. J.D. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement no. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. M.C.S. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754510 (PROBIST) and the Severo Ochoa programme. J.D. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. The ICN2 is funded by the CERCA Program/Generalitat de Catalunya and by the Severo Ochoa program of the Spanish Ministry of Economy, Industry, and Competitiveness (MINECO, grant no. SEV-2017-0706). ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). This project received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. The FIB sample preparation was conducted in the LMA-INA-Universidad de Zaragoza.","oa":1,"publisher":"American Chemical Society ","quality_controlled":"1","year":"2022","has_accepted_license":"1","isi":1,"publication":"ACS Nano","day":"25","page":"78-88","date_created":"2021-09-24T07:55:12Z","doi":"10.1021/acsnano.1c06720","date_published":"2022-01-25T00:00:00Z"},{"_id":"10829","tmp":{"short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","image":"/images/cc_by_nc_nd.png"},"article_type":"original","type":"journal_article","status":"public","date_updated":"2023-08-02T14:46:17Z","ddc":["540"],"department":[{"_id":"MaIb"}],"file_date_updated":"2022-03-07T08:15:01Z","abstract":[{"text":"A novel multivariable system, combining a transistor with fiber optic-based surface plasmon resonance spectroscopy with the gate electrode simultaneously acting as the fiber optic sensor surface, is reported. The dual-mode sensor allows for discrimination of mass and charge contributions for binding assays on the same sensor surface. Furthermore, we optimize the sensor geometry by investigating the influence of the fiber area to transistor channel area ratio and distance. We show that larger fiber optic tip diameters are favorable for electronic and optical signals and demonstrate the reversibility of plasmon resonance wavelength shifts after electric field application. As a proof of principle, a layer-by-layer assembly of polyelectrolytes is performed to benchmark the system against multivariable sensing platforms with planar surface plasmon resonance configurations. Furthermore, the biosensing performance is assessed using a thrombin binding assay with surface-immobilized aptamers as receptors, allowing for the detection of medically relevant thrombin concentrations.","lang":"eng"}],"oa_version":"Published Version","scopus_import":"1","intvolume":" 7","month":"02","publication_status":"published","publication_identifier":{"eissn":["23793694"]},"language":[{"iso":"eng"}],"file":[{"access_level":"open_access","relation":"main_file","content_type":"application/pdf","file_id":"10832","checksum":"d704af7262cd484da9bb84b7d84e2b09","success":1,"creator":"dernst","date_updated":"2022-03-07T08:15:01Z","file_size":2969415,"date_created":"2022-03-07T08:15:01Z","file_name":"2022_ACSSensors_Hasler.pdf"}],"license":"https://creativecommons.org/licenses/by-nc-nd/4.0/","issue":"2","related_material":{"record":[{"relation":"research_data","status":"public","id":"10833"}]},"volume":7,"citation":{"apa":"Hasler, R., Reiner-Rozman, C., Fossati, S., Aspermair, P., Dostalek, J., Lee, S., … Knoll, W. (2022). Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device. ACS Sensors. American Chemical Society. https://doi.org/10.1021/acssensors.1c02313","ama":"Hasler R, Reiner-Rozman C, Fossati S, et al. Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device. ACS Sensors. 2022;7(2):504-512. doi:10.1021/acssensors.1c02313","ieee":"R. Hasler et al., “Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device,” ACS Sensors, vol. 7, no. 2. American Chemical Society, pp. 504–512, 2022.","short":"R. Hasler, C. Reiner-Rozman, S. Fossati, P. Aspermair, J. Dostalek, S. Lee, M. Ibáñez, J. Bintinger, W. Knoll, ACS Sensors 7 (2022) 504–512.","mla":"Hasler, Roger, et al. “Field-Effect Transistor with a Plasmonic Fiber Optic Gate Electrode as a Multivariable Biosensor Device.” ACS Sensors, vol. 7, no. 2, American Chemical Society, 2022, pp. 504–12, doi:10.1021/acssensors.1c02313.","ista":"Hasler R, Reiner-Rozman C, Fossati S, Aspermair P, Dostalek J, Lee S, Ibáñez M, Bintinger J, Knoll W. 2022. Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device. ACS Sensors. 7(2), 504–512.","chicago":"Hasler, Roger, Ciril Reiner-Rozman, Stefan Fossati, Patrik Aspermair, Jakub Dostalek, Seungho Lee, Maria Ibáñez, Johannes Bintinger, and Wolfgang Knoll. “Field-Effect Transistor with a Plasmonic Fiber Optic Gate Electrode as a Multivariable Biosensor Device.” ACS Sensors. American Chemical Society, 2022. https://doi.org/10.1021/acssensors.1c02313."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","external_id":{"isi":["000765113000016"]},"article_processing_charge":"No","author":[{"first_name":"Roger","last_name":"Hasler","full_name":"Hasler, Roger"},{"first_name":"Ciril","last_name":"Reiner-Rozman","full_name":"Reiner-Rozman, Ciril"},{"full_name":"Fossati, Stefan","last_name":"Fossati","first_name":"Stefan"},{"last_name":"Aspermair","full_name":"Aspermair, Patrik","first_name":"Patrik"},{"full_name":"Dostalek, Jakub","last_name":"Dostalek","first_name":"Jakub"},{"last_name":"Lee","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez"},{"first_name":"Johannes","full_name":"Bintinger, Johannes","last_name":"Bintinger"},{"full_name":"Knoll, Wolfgang","last_name":"Knoll","first_name":"Wolfgang"}],"title":"Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device","acknowledgement":"This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Skłodowska-Curie grant agreement No. 813863-\r\nBORGES. Additionally, we gratefully acknowledge the financial support from the Austrian Research Promotion Agency (FFG; 870025 and 873541) for this research. The data that support the findings of this study are openly available in Zenodo (DOI: 10.5281/zenodo.5500360)","oa":1,"publisher":"American Chemical Society","quality_controlled":"1","year":"2022","isi":1,"has_accepted_license":"1","publication":"ACS Sensors","day":"08","page":"504-512","date_created":"2022-03-06T23:01:54Z","doi":"10.1021/acssensors.1c02313","date_published":"2022-02-08T00:00:00Z"},{"title":"Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device","department":[{"_id":"MaIb"}],"author":[{"first_name":"Roger","full_name":"Hasler, Roger","last_name":"Hasler"},{"last_name":"Reiner-Rozman","full_name":"Reiner-Rozman, Ciril","first_name":"Ciril"},{"first_name":"Stefan","last_name":"Fossati","full_name":"Fossati, Stefan"},{"last_name":"Aspermair","full_name":"Aspermair, Patrik","first_name":"Patrik"},{"last_name":"Dostalek","full_name":"Dostalek, Jakub","first_name":"Jakub"},{"first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"},{"first_name":"Johannes","last_name":"Bintinger","full_name":"Bintinger, Johannes"},{"last_name":"Knoll","full_name":"Knoll, Wolfgang","first_name":"Wolfgang"}],"article_processing_charge":"No","ddc":["540"],"user_id":"6785fbc1-c503-11eb-8a32-93094b40e1cf","citation":{"apa":"Hasler, R., Reiner-Rozman, C., Fossati, S., Aspermair, P., Dostalek, J., Lee, S., … Knoll, W. (2022). Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device. Zenodo. https://doi.org/10.5281/ZENODO.5500360","ama":"Hasler R, Reiner-Rozman C, Fossati S, et al. Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device. 2022. doi:10.5281/ZENODO.5500360","short":"R. Hasler, C. Reiner-Rozman, S. Fossati, P. Aspermair, J. Dostalek, S. Lee, M. Ibáñez, J. Bintinger, W. Knoll, (2022).","ieee":"R. Hasler et al., “Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device.” Zenodo, 2022.","mla":"Hasler, Roger, et al. Field-Effect Transistor with a Plasmonic Fiber Optic Gate Electrode as a Multivariable Biosensor Device. Zenodo, 2022, doi:10.5281/ZENODO.5500360.","ista":"Hasler R, Reiner-Rozman C, Fossati S, Aspermair P, Dostalek J, Lee S, Ibáñez M, Bintinger J, Knoll W. 2022. Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device, Zenodo, 10.5281/ZENODO.5500360.","chicago":"Hasler, Roger, Ciril Reiner-Rozman, Stefan Fossati, Patrik Aspermair, Jakub Dostalek, Seungho Lee, Maria Ibáñez, Johannes Bintinger, and Wolfgang Knoll. “Field-Effect Transistor with a Plasmonic Fiber Optic Gate Electrode as a Multivariable Biosensor Device.” Zenodo, 2022. https://doi.org/10.5281/ZENODO.5500360."},"date_updated":"2023-08-02T14:46:16Z","status":"public","type":"research_data_reference","_id":"10833","doi":"10.5281/ZENODO.5500360","related_material":{"record":[{"relation":"used_in_publication","status":"public","id":"10829"}]},"date_published":"2022-02-08T00:00:00Z","date_created":"2022-03-07T08:19:11Z","day":"08","year":"2022","month":"02","publisher":"Zenodo","main_file_link":[{"open_access":"1","url":"https://doi.org/10.5281/zenodo.5500360"}],"oa":1,"oa_version":"Published Version","abstract":[{"text":"Detailed information about the data set see \"dataset description.txt\" file.","lang":"eng"}]},{"quality_controlled":"1","publisher":"Elsevier","acknowledgement":"This work was supported by National Natural Science Foundation of China (52002042), National Key Research and Development Program of China (2018YFA0702100 and 2018YFB0703600), 111 Project (B17002) and Lise Meitner Project M 2889-N. This work was also supported by the National Postdoctoral Program for Innovative Talents (BX20200028). L.D.Z. appreciates the support of the high-performance computing (HPC) resources at Beihang University, the National Science Fund for Distinguished Young Scholars (51925101), and center for High Pressure Science and Technology Advanced Research (HPSTAR) for SEM and TEM measurements.","doi":"10.1016/j.mtener.2022.100985","date_published":"2022-04-01T00:00:00Z","date_created":"2022-04-10T22:01:39Z","isi":1,"year":"2022","day":"01","publication":"Materials Today Energy","project":[{"name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"}],"article_number":"100985","author":[{"first_name":"Tao","last_name":"Hong","full_name":"Hong, Tao"},{"full_name":"Guo, Changrong","last_name":"Guo","first_name":"Changrong"},{"last_name":"Wang","full_name":"Wang, Dongyang","first_name":"Dongyang"},{"first_name":"Bingchao","full_name":"Qin, Bingchao","last_name":"Qin"},{"last_name":"Chang","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"full_name":"Gao, Xiang","last_name":"Gao","first_name":"Xiang"},{"first_name":"Li Dong","last_name":"Zhao","full_name":"Zhao, Li Dong"}],"external_id":{"isi":["000798679100010"]},"article_processing_charge":"No","title":"Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3","citation":{"chicago":"Hong, Tao, Changrong Guo, Dongyang Wang, Bingchao Qin, Cheng Chang, Xiang Gao, and Li Dong Zhao. “Enhanced Thermoelectric Performance in SnTe Due to the Energy Filtering Effect Introduced by Bi2O3.” Materials Today Energy. Elsevier, 2022. https://doi.org/10.1016/j.mtener.2022.100985.","ista":"Hong T, Guo C, Wang D, Qin B, Chang C, Gao X, Zhao LD. 2022. Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3. Materials Today Energy. 25, 100985.","mla":"Hong, Tao, et al. “Enhanced Thermoelectric Performance in SnTe Due to the Energy Filtering Effect Introduced by Bi2O3.” Materials Today Energy, vol. 25, 100985, Elsevier, 2022, doi:10.1016/j.mtener.2022.100985.","apa":"Hong, T., Guo, C., Wang, D., Qin, B., Chang, C., Gao, X., & Zhao, L. D. (2022). Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3. Materials Today Energy. Elsevier. https://doi.org/10.1016/j.mtener.2022.100985","ama":"Hong T, Guo C, Wang D, et al. Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3. Materials Today Energy. 2022;25. doi:10.1016/j.mtener.2022.100985","short":"T. Hong, C. Guo, D. Wang, B. Qin, C. Chang, X. Gao, L.D. Zhao, Materials Today Energy 25 (2022).","ieee":"T. Hong et al., “Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3,” Materials Today Energy, vol. 25. Elsevier, 2022."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","month":"04","intvolume":" 25","abstract":[{"lang":"eng","text":"SnTe is a promising Pb-free thermoelectric (TE) material with high electrical conductivity. We discovered the synergistic effect of Bi2O3 on enhancing the average power factor (PF) and overall ZT value of the SnTe-based thermoelectric material. The introduction of Bi2O3 forms plenty of SnO2, Bi2O3, and Bi-rich nanoprecipitates. These interfaces between the SnTe matrix and the nanoprecipitates can enhance the average PF through the energy filtering effect. On the other hand, abundant and diverse nanoprecipitates can significantly diminish the lattice thermal conductivity (κlat) through enhanced phonon scattering. The synergistic effect of Bi2O3 resulted in a maximum ZT (ZTmax) value of 0.9 at SnTe-2% Bi2O3 and an average ZT (ZTave) value of 0.4 for SnTe-4% Bi2O3 from 300 K to 823 K. The work provides an excellent reference to develop non-toxic high-performance TE materials."}],"oa_version":"None","volume":25,"publication_identifier":{"eissn":["2468-6069"]},"publication_status":"published","language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","status":"public","_id":"11142","department":[{"_id":"MaIb"}],"date_updated":"2023-08-03T06:28:16Z"},{"volume":67,"issue":"11","publication_identifier":{"eissn":["2095-9281"],"issn":["2095-9273"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","main_file_link":[{"url":"https://doi.org/10.1016/j.scib.2022.04.007","open_access":"1"}],"month":"06","intvolume":" 67","oa_version":"Published Version","department":[{"_id":"MaIb"}],"date_updated":"2023-08-03T07:04:10Z","article_type":"letter_note","type":"journal_article","status":"public","_id":"11356","page":"1105-1107","date_published":"2022-06-15T00:00:00Z","doi":"10.1016/j.scib.2022.04.007","date_created":"2022-05-08T22:01:44Z","isi":1,"year":"2022","day":"15","publication":"Science Bulletin","quality_controlled":"1","publisher":"Elsevier","oa":1,"acknowledgement":"This work was supported by the National Science Fund for Distinguished Young Scholars (51925101), National Key Research and Development Program of China (2018YFA0702100), 111 Project (B17002), and Lise Meitner Project (M2889-N).","author":[{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"first_name":"Bingchao","full_name":"Qin, Bingchao","last_name":"Qin"},{"full_name":"Su, Lizhong","last_name":"Su","first_name":"Lizhong"},{"first_name":"Li Dong","full_name":"Zhao, Li Dong","last_name":"Zhao"}],"article_processing_charge":"No","external_id":{"isi":["000835291100006"]},"title":"Distinct electron and hole transports in SnSe crystals","citation":{"ista":"Chang C, Qin B, Su L, Zhao LD. 2022. Distinct electron and hole transports in SnSe crystals. Science Bulletin. 67(11), 1105–1107.","chicago":"Chang, Cheng, Bingchao Qin, Lizhong Su, and Li Dong Zhao. “Distinct Electron and Hole Transports in SnSe Crystals.” Science Bulletin. Elsevier, 2022. https://doi.org/10.1016/j.scib.2022.04.007.","ama":"Chang C, Qin B, Su L, Zhao LD. Distinct electron and hole transports in SnSe crystals. Science Bulletin. 2022;67(11):1105-1107. doi:10.1016/j.scib.2022.04.007","apa":"Chang, C., Qin, B., Su, L., & Zhao, L. D. (2022). Distinct electron and hole transports in SnSe crystals. Science Bulletin. Elsevier. https://doi.org/10.1016/j.scib.2022.04.007","short":"C. Chang, B. Qin, L. Su, L.D. Zhao, Science Bulletin 67 (2022) 1105–1107.","ieee":"C. Chang, B. Qin, L. Su, and L. D. Zhao, “Distinct electron and hole transports in SnSe crystals,” Science Bulletin, vol. 67, no. 11. Elsevier, pp. 1105–1107, 2022.","mla":"Chang, Cheng, et al. “Distinct Electron and Hole Transports in SnSe Crystals.” Science Bulletin, vol. 67, no. 11, Elsevier, 2022, pp. 1105–07, doi:10.1016/j.scib.2022.04.007."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"}]},{"article_number":"42","citation":{"mla":"Nguyen, Van Quang, et al. “Unidentified Major P-Type Source in SnSe: Multivacancies.” NPG Asia Materials, vol. 14, 42, Springer Nature, 2022, doi:10.1038/s41427-022-00393-5.","apa":"Nguyen, V. Q., Trinh, T. L., Chang, C., Zhao, L. D., Nguyen, T. H., Duong, V. T., … Cho, S. (2022). Unidentified major p-type source in SnSe: Multivacancies. NPG Asia Materials. Springer Nature. https://doi.org/10.1038/s41427-022-00393-5","ama":"Nguyen VQ, Trinh TL, Chang C, et al. Unidentified major p-type source in SnSe: Multivacancies. NPG Asia Materials. 2022;14. doi:10.1038/s41427-022-00393-5","short":"V.Q. Nguyen, T.L. Trinh, C. Chang, L.D. Zhao, T.H. Nguyen, V.T. Duong, A.T. Duong, J.H. Park, S. Park, J. Kim, S. Cho, NPG Asia Materials 14 (2022).","ieee":"V. Q. Nguyen et al., “Unidentified major p-type source in SnSe: Multivacancies,” NPG Asia Materials, vol. 14. Springer Nature, 2022.","chicago":"Nguyen, Van Quang, Thi Ly Trinh, Cheng Chang, Li Dong Zhao, Thi Huong Nguyen, Van Thiet Duong, Anh Tuan Duong, et al. “Unidentified Major P-Type Source in SnSe: Multivacancies.” NPG Asia Materials. Springer Nature, 2022. https://doi.org/10.1038/s41427-022-00393-5.","ista":"Nguyen VQ, Trinh TL, Chang C, Zhao LD, Nguyen TH, Duong VT, Duong AT, Park JH, Park S, Kim J, Cho S. 2022. Unidentified major p-type source in SnSe: Multivacancies. NPG Asia Materials. 14, 42."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","article_processing_charge":"No","external_id":{"isi":["000794880200001"]},"author":[{"last_name":"Nguyen","full_name":"Nguyen, Van Quang","first_name":"Van Quang"},{"full_name":"Trinh, Thi Ly","last_name":"Trinh","first_name":"Thi Ly"},{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"first_name":"Li Dong","last_name":"Zhao","full_name":"Zhao, Li Dong"},{"first_name":"Thi Huong","last_name":"Nguyen","full_name":"Nguyen, Thi Huong"},{"first_name":"Van Thiet","last_name":"Duong","full_name":"Duong, Van Thiet"},{"first_name":"Anh Tuan","full_name":"Duong, Anh Tuan","last_name":"Duong"},{"first_name":"Jong Ho","last_name":"Park","full_name":"Park, Jong Ho"},{"last_name":"Park","full_name":"Park, Sudong","first_name":"Sudong"},{"first_name":"Jungdae","full_name":"Kim, Jungdae","last_name":"Kim"},{"first_name":"Sunglae","last_name":"Cho","full_name":"Cho, Sunglae"}],"title":"Unidentified major p-type source in SnSe: Multivacancies","acknowledgement":"This work was supported by the National Research Foundation of Korea [NRF-2019R1F1A1058473, NRF-2019R1A6A1A11053838, and NRF-2020K1A4A7A02095438].","oa":1,"quality_controlled":"1","publisher":"Springer Nature","year":"2022","isi":1,"has_accepted_license":"1","publication":"NPG Asia Materials","day":"13","date_created":"2022-05-22T22:01:40Z","date_published":"2022-05-13T00:00:00Z","doi":"10.1038/s41427-022-00393-5","_id":"11401","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","status":"public","date_updated":"2023-08-03T07:13:58Z","ddc":["540"],"department":[{"_id":"MaIb"}],"file_date_updated":"2022-05-23T06:47:57Z","abstract":[{"lang":"eng","text":"Tin selenide (SnSe) is considered a robust candidate for thermoelectric applications due to its very high thermoelectric figure of merit, ZT, with values of 2.6 in p-type and 2.8 in n-type single crystals. Sn has been replaced with various lower group dopants to achieve successful p-type doping in SnSe with high ZT values. A known, facile, and powerful alternative way to introduce a hole carrier is to use a natural single Sn vacancy, VSn. Through transport and scanning tunneling microscopy studies, we discovered that VSn are dominant in high-quality (slow cooling rate) SnSe single crystals, while multiple vacancies, Vmulti, are dominant in low-quality (high cooling rate) single crystals. Surprisingly, both VSn and Vmulti help to increase the power factors of SnSe, whereas samples with dominant VSn have superior thermoelectric properties in SnSe single crystals. Additionally, the observation that Vmulti are good p-type sources observed in relatively low-quality single crystals is useful in thermoelectric applications because polycrystalline SnSe can be used due to its mechanical strength; this substance is usually fabricated at very high cooling speeds."}],"oa_version":"Published Version","scopus_import":"1","intvolume":" 14","month":"05","publication_status":"published","publication_identifier":{"issn":["1884-4049"],"eissn":["1884-4057"]},"language":[{"iso":"eng"}],"file":[{"access_level":"open_access","relation":"main_file","content_type":"application/pdf","file_id":"11404","checksum":"0579997cc1d28bf66e29357e08e3e39d","success":1,"creator":"dernst","date_updated":"2022-05-23T06:47:57Z","file_size":6202545,"date_created":"2022-05-23T06:47:57Z","file_name":"2022_NPGAsiaMaterials_Nguyen.pdf"}],"volume":14},{"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"mla":"Parvizian, Mahsa, et al. “The Chemistry of Cu₃N and Cu₃PdN Nanocrystals.” Angewandte Chemie - International Edition, vol. 61, no. 31, e202207013, Wiley, 2022, doi:10.1002/anie.202207013.","ieee":"M. Parvizian et al., “The chemistry of Cu₃N and Cu₃PdN nanocrystals,” Angewandte Chemie - International Edition, vol. 61, no. 31. Wiley, 2022.","short":"M. Parvizian, A. Duràn Balsa, R. Pokratath, C. Kalha, S. Lee, D. Van Den Eynden, M. Ibáñez, A. Regoutz, J. De Roo, Angewandte Chemie - International Edition 61 (2022).","apa":"Parvizian, M., Duràn Balsa, A., Pokratath, R., Kalha, C., Lee, S., Van Den Eynden, D., … De Roo, J. (2022). The chemistry of Cu₃N and Cu₃PdN nanocrystals. Angewandte Chemie - International Edition. Wiley. https://doi.org/10.1002/anie.202207013","ama":"Parvizian M, Duràn Balsa A, Pokratath R, et al. The chemistry of Cu₃N and Cu₃PdN nanocrystals. Angewandte Chemie - International Edition. 2022;61(31). doi:10.1002/anie.202207013","chicago":"Parvizian, Mahsa, Alejandra Duràn Balsa, Rohan Pokratath, Curran Kalha, Seungho Lee, Dietger Van Den Eynden, Maria Ibáñez, Anna Regoutz, and Jonathan De Roo. “The Chemistry of Cu₃N and Cu₃PdN Nanocrystals.” Angewandte Chemie - International Edition. Wiley, 2022. https://doi.org/10.1002/anie.202207013.","ista":"Parvizian M, Duràn Balsa A, Pokratath R, Kalha C, Lee S, Van Den Eynden D, Ibáñez M, Regoutz A, De Roo J. 2022. The chemistry of Cu₃N and Cu₃PdN nanocrystals. Angewandte Chemie - International Edition. 61(31), e202207013."},"title":"The chemistry of Cu₃N and Cu₃PdN nanocrystals","author":[{"full_name":"Parvizian, Mahsa","last_name":"Parvizian","first_name":"Mahsa"},{"first_name":"Alejandra","last_name":"Duràn Balsa","full_name":"Duràn Balsa, Alejandra"},{"first_name":"Rohan","full_name":"Pokratath, Rohan","last_name":"Pokratath"},{"last_name":"Kalha","full_name":"Kalha, Curran","first_name":"Curran"},{"last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"last_name":"Van Den Eynden","full_name":"Van Den Eynden, Dietger","first_name":"Dietger"},{"last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"first_name":"Anna","last_name":"Regoutz","full_name":"Regoutz, Anna"},{"last_name":"De Roo","full_name":"De Roo, Jonathan","first_name":"Jonathan"}],"article_processing_charge":"No","external_id":{"pmid":["35612297"],"isi":["000811084000001"]},"article_number":"e202207013","day":"01","publication":"Angewandte Chemie - International Edition","isi":1,"has_accepted_license":"1","year":"2022","date_published":"2022-08-01T00:00:00Z","doi":"10.1002/anie.202207013","date_created":"2022-06-19T22:01:58Z","acknowledgement":"J.D.R. and M.P. acknowledge the SNF Eccellenza funding scheme (project number: 194172). We acknowledge DESY (Hamburg, Germany), a member of the Helmholtz Association HGF, for the provision of experimental facilities. Parts of this research were carried out at beamline P21.1, PETRA III. We thank Dr. Soham Banerjee for acquiring the PDF data and helpful advice. A.R. acknowledges the support from the Analytical Chemistry Trust Fund for her CAMS-UK Fellowship. C.K. acknowledges the support from the Department of Chemistry, UCL. The authors acknowledge Dr Stephan Lany from NREL for providing the Cu3N DFT calculations. The authors thank Prof. Raymond Schaak and Dr. Robert William Lord for helpful advice and suggestions regarding the purification procedure. Open access funding provided by Universitat Basel.","publisher":"Wiley","quality_controlled":"1","oa":1,"ddc":["540"],"date_updated":"2023-08-03T07:19:12Z","file_date_updated":"2022-07-29T09:29:20Z","department":[{"_id":"MaIb"}],"_id":"11451","status":"public","type":"journal_article","article_type":"original","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"file":[{"creator":"dernst","file_size":1303202,"date_updated":"2022-07-29T09:29:20Z","file_name":"2022_AngewandteChemieInternat_Parvizian.pdf","date_created":"2022-07-29T09:29:20Z","relation":"main_file","access_level":"open_access","content_type":"application/pdf","success":1,"file_id":"11696","checksum":"2a3ee0bb59e044b808ebe85cd94ac899"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"publication_status":"published","volume":61,"issue":"31","related_material":{"record":[{"id":"11695","status":"public","relation":"research_data"}]},"oa_version":"Published Version","pmid":1,"abstract":[{"lang":"eng","text":"The precursor conversion chemistry and surface chemistry of Cu3N and Cu3PdN nanocrystals are unknown or contested. Here, we first obtain phase-pure, colloidally stable nanocubes. Second, we elucidate the pathway by which copper(II) nitrate and oleylamine form Cu3N. We find that oleylamine is both a reductant and a nitrogen source. Oleylamine is oxidized by nitrate to a primary aldimine, which reacts further with excess oleylamine to a secondary aldimine, eliminating ammonia. Ammonia reacts with CuI to form Cu3N. Third, we investigated the surface chemistry and find a mixed ligand shell of aliphatic amines and carboxylates (formed in situ). While the carboxylates appear tightly bound, the amines are easily desorbed from the surface. Finally, we show that doping with palladium decreases the band gap and the material becomes semi-metallic. These results bring insight into the chemistry of metal nitrides and might help the development of other metal nitride nanocrystals."}],"month":"08","intvolume":" 61","scopus_import":"1"},{"user_id":"6785fbc1-c503-11eb-8a32-93094b40e1cf","ddc":["540"],"citation":{"ista":"Parvizian M, Duran Balsa A, Pokratath R, Kalha C, Lee S, Van den Eynden D, Ibáñez M, Regoutz A, De Roo J. 2022. Data for ‘The chemistry of Cu3N and Cu3PdN nanocrystals’, Zenodo, 10.5281/ZENODO.6542908.","chicago":"Parvizian, Mahsa, Alejandra Duran Balsa, Rohan Pokratath, Curran Kalha, Seungho Lee, Dietger Van den Eynden, Maria Ibáñez, Anna Regoutz, and Jonathan De Roo. “Data for ‘The Chemistry of Cu3N and Cu3PdN Nanocrystals.’” Zenodo, 2022. https://doi.org/10.5281/ZENODO.6542908.","short":"M. Parvizian, A. Duran Balsa, R. Pokratath, C. Kalha, S. Lee, D. Van den Eynden, M. Ibáñez, A. Regoutz, J. De Roo, (2022).","ieee":"M. Parvizian et al., “Data for ‘The chemistry of Cu3N and Cu3PdN nanocrystals.’” Zenodo, 2022.","apa":"Parvizian, M., Duran Balsa, A., Pokratath, R., Kalha, C., Lee, S., Van den Eynden, D., … De Roo, J. (2022). Data for “The chemistry of Cu3N and Cu3PdN nanocrystals.” Zenodo. https://doi.org/10.5281/ZENODO.6542908","ama":"Parvizian M, Duran Balsa A, Pokratath R, et al. Data for “The chemistry of Cu3N and Cu3PdN nanocrystals.” 2022. doi:10.5281/ZENODO.6542908","mla":"Parvizian, Mahsa, et al. Data for “The Chemistry of Cu3N and Cu3PdN Nanocrystals.” Zenodo, 2022, doi:10.5281/ZENODO.6542908."},"date_updated":"2023-08-03T07:19:12Z","title":"Data for \"The chemistry of Cu3N and Cu3PdN nanocrystals\"","department":[{"_id":"MaIb"}],"article_processing_charge":"No","author":[{"full_name":"Parvizian, Mahsa","last_name":"Parvizian","first_name":"Mahsa"},{"first_name":"Alejandra","last_name":"Duran Balsa","full_name":"Duran Balsa, Alejandra"},{"first_name":"Rohan","full_name":"Pokratath, Rohan","last_name":"Pokratath"},{"last_name":"Kalha","full_name":"Kalha, Curran","first_name":"Curran"},{"first_name":"Seungho","last_name":"Lee","full_name":"Lee, Seungho"},{"first_name":"Dietger","last_name":"Van den Eynden","full_name":"Van den Eynden, Dietger"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez"},{"full_name":"Regoutz, Anna","last_name":"Regoutz","first_name":"Anna"},{"full_name":"De Roo, Jonathan","last_name":"De Roo","first_name":"Jonathan"}],"_id":"11695","status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"research_data_reference","day":"12","year":"2022","date_created":"2022-07-29T09:31:13Z","date_published":"2022-05-12T00:00:00Z","related_material":{"record":[{"id":"11451","status":"public","relation":"used_in_publication"}]},"doi":"10.5281/ZENODO.6542908","oa_version":"Published Version","abstract":[{"text":"Data underlying the figures in the publication \"The chemistry of Cu3N and Cu3PdN nanocrystals\" ","lang":"eng"}],"month":"05","main_file_link":[{"open_access":"1","url":"https://doi.org/10.5281/ZENODO.6542908"}],"oa":1,"publisher":"Zenodo"},{"oa":1,"publisher":"Wiley","quality_controlled":"1","acknowledgement":"This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Lise Meitner Project (M2889-N). Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. R.L.B. thanks the National Science Foundation for support under DMR-1904719. MCS acknowledge MINECO Juan de la Cierva Incorporation fellowship (JdlCI 2019) and Severo Ochoa. M.C.S. and J.A. acknowledge funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya.","date_created":"2022-07-31T22:01:48Z","doi":"10.1002/anie.202207002","date_published":"2022-08-26T00:00:00Z","year":"2022","has_accepted_license":"1","isi":1,"publication":"Angewandte Chemie - International Edition","day":"26","project":[{"name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"},{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"article_number":"e202207002","external_id":{"isi":["000828274200001"]},"article_processing_charge":"Yes (via OA deal)","author":[{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","last_name":"Liu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"first_name":"Maria","full_name":"Spadaro, Maria","last_name":"Spadaro"},{"first_name":"Kristopher M.","last_name":"Koskela","full_name":"Koskela, Kristopher M."},{"last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","first_name":"Tobias"},{"full_name":"Costanzo, Tommaso","orcid":"0000-0001-9732-3815","last_name":"Costanzo","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","first_name":"Tommaso"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"first_name":"Richard L.","last_name":"Brutchey","full_name":"Brutchey, Richard L."},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"}],"title":"Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance","citation":{"mla":"Chang, Cheng, et al. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” Angewandte Chemie - International Edition, vol. 61, no. 35, e202207002, Wiley, 2022, doi:10.1002/anie.202207002.","short":"C. Chang, Y. Liu, S. Lee, M. Spadaro, K.M. Koskela, T. Kleinhanns, T. Costanzo, J. Arbiol, R.L. Brutchey, M. Ibáñez, Angewandte Chemie - International Edition 61 (2022).","ieee":"C. Chang et al., “Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance,” Angewandte Chemie - International Edition, vol. 61, no. 35. Wiley, 2022.","apa":"Chang, C., Liu, Y., Lee, S., Spadaro, M., Koskela, K. M., Kleinhanns, T., … Ibáñez, M. (2022). Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. Angewandte Chemie - International Edition. Wiley. https://doi.org/10.1002/anie.202207002","ama":"Chang C, Liu Y, Lee S, et al. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. Angewandte Chemie - International Edition. 2022;61(35). doi:10.1002/anie.202207002","chicago":"Chang, Cheng, Yu Liu, Seungho Lee, Maria Spadaro, Kristopher M. Koskela, Tobias Kleinhanns, Tommaso Costanzo, Jordi Arbiol, Richard L. Brutchey, and Maria Ibáñez. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” Angewandte Chemie - International Edition. Wiley, 2022. https://doi.org/10.1002/anie.202207002.","ista":"Chang C, Liu Y, Lee S, Spadaro M, Koskela KM, Kleinhanns T, Costanzo T, Arbiol J, Brutchey RL, Ibáñez M. 2022. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. Angewandte Chemie - International Edition. 61(35), e202207002."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","intvolume":" 61","month":"08","abstract":[{"text":"The broad implementation of thermoelectricity requires high-performance and low-cost materials. One possibility is employing surfactant-free solution synthesis to produce nanopowders. We propose the strategy of functionalizing “naked” particles’ surface by inorganic molecules to control the nanostructure and, consequently, thermoelectric performance. In particular, we use bismuth thiolates to functionalize surfactant-free SnTe particles’ surfaces. Upon thermal processing, bismuth thiolates decomposition renders SnTe-Bi2S3 nanocomposites with synergistic functions: 1) carrier concentration optimization by Bi doping; 2) Seebeck coefficient enhancement and bipolar effect suppression by energy filtering; and 3) lattice thermal conductivity reduction by small grain domains, grain boundaries and nanostructuration. Overall, the SnTe-Bi2S3 nanocomposites exhibit peak z T up to 1.3 at 873 K and an average z T of ≈0.6 at 300–873 K, which is among the highest reported for solution-processed SnTe.","lang":"eng"}],"acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"oa_version":"Published Version","ec_funded":1,"issue":"35","volume":61,"publication_status":"published","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"language":[{"iso":"eng"}],"file":[{"date_updated":"2023-02-02T08:01:00Z","file_size":4072650,"creator":"dernst","date_created":"2023-02-02T08:01:00Z","file_name":"2022_AngewandteChemieInternat_Chang.pdf","content_type":"application/pdf","access_level":"open_access","relation":"main_file","checksum":"ad601f2b9e26e46ab4785162be58b5ed","file_id":"12476","success":1}],"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","status":"public","_id":"11705","department":[{"_id":"MaIb"},{"_id":"EM-Fac"}],"file_date_updated":"2023-02-02T08:01:00Z","date_updated":"2023-08-03T12:23:52Z","ddc":["540"]},{"_id":"12237","keyword":["Materials Chemistry","General Chemical Engineering","General Chemistry"],"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","ddc":["540"],"date_updated":"2023-08-04T09:38:26Z","department":[{"_id":"MaIb"}],"file_date_updated":"2023-01-30T07:35:09Z","pmid":1,"oa_version":"Published Version","abstract":[{"text":"Thermoelectric technology requires synthesizing complex materials where not only the crystal structure but also other structural features such as defects, grain size and orientation, and interfaces must be controlled. To date, conventional solid-state techniques are unable to provide this level of control. Herein, we present a synthetic approach in which dense inorganic thermoelectric materials are produced by the consolidation of well-defined nanoparticle powders. The idea is that controlling the characteristics of the powder allows the chemical transformations that take place during consolidation to be guided, ultimately yielding inorganic solids with targeted features. Different from conventional methods, syntheses in solution can produce particles with unprecedented control over their size, shape, crystal structure, composition, and surface chemistry. However, to date, most works have focused only on the low-cost benefits of this strategy. In this perspective, we first cover the opportunities that solution processing of the powder offers, emphasizing the potential structural features that can be controlled by precisely engineering the inorganic core of the particle, the surface, and the organization of the particles before consolidation. We then discuss the challenges of this synthetic approach and more practical matters related to solution processing. Finally, we suggest some good practices for adequate knowledge transfer and improving reproducibility among different laboratories.","lang":"eng"}],"intvolume":" 34","month":"09","scopus_import":"1","language":[{"iso":"eng"}],"file":[{"creator":"dernst","date_updated":"2023-01-30T07:35:09Z","file_size":10923495,"date_created":"2023-01-30T07:35:09Z","file_name":"2022_ChemistryMaterials_Fiedler.pdf","access_level":"open_access","relation":"main_file","content_type":"application/pdf","file_id":"12434","checksum":"f7143e44ab510519d1949099c3558532","success":1}],"publication_status":"published","publication_identifier":{"eissn":["1520-5002"],"issn":["0897-4756"]},"ec_funded":1,"related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"12885"}]},"volume":34,"issue":"19","project":[{"name":"International IST Doctoral Program","grant_number":"665385","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"chicago":"Fiedler, Christine, Tobias Kleinhanns, Maria Garcia, Seungho Lee, Mariano Calcabrini, and Maria Ibáñez. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” Chemistry of Materials. American Chemical Society, 2022. https://doi.org/10.1021/acs.chemmater.2c01967.","ista":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. 2022. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. 34(19), 8471–8489.","mla":"Fiedler, Christine, et al. “Solution-Processed Inorganic Thermoelectric Materials: Opportunities and Challenges.” Chemistry of Materials, vol. 34, no. 19, American Chemical Society, 2022, pp. 8471–89, doi:10.1021/acs.chemmater.2c01967.","ama":"Fiedler C, Kleinhanns T, Garcia M, Lee S, Calcabrini M, Ibáñez M. Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. 2022;34(19):8471-8489. doi:10.1021/acs.chemmater.2c01967","apa":"Fiedler, C., Kleinhanns, T., Garcia, M., Lee, S., Calcabrini, M., & Ibáñez, M. (2022). Solution-processed inorganic thermoelectric materials: Opportunities and challenges. Chemistry of Materials. American Chemical Society. https://doi.org/10.1021/acs.chemmater.2c01967","short":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, M. Ibáñez, Chemistry of Materials 34 (2022) 8471–8489.","ieee":"C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, and M. Ibáñez, “Solution-processed inorganic thermoelectric materials: Opportunities and challenges,” Chemistry of Materials, vol. 34, no. 19. American Chemical Society, pp. 8471–8489, 2022."},"title":"Solution-processed inorganic thermoelectric materials: Opportunities and challenges","external_id":{"pmid":["36248227"],"isi":["000917837600001"]},"article_processing_charge":"Yes (via OA deal)","author":[{"first_name":"Christine","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","last_name":"Fiedler","full_name":"Fiedler, Christine"},{"id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","first_name":"Tobias","last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias"},{"full_name":"Garcia, Maria","last_name":"Garcia","id":"6e5c50b8-97dc-11ed-be98-b0a74c84cae0","first_name":"Maria"},{"full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","last_name":"Lee","id":"BB243B88-D767-11E9-B658-BC13E6697425","first_name":"Seungho"},{"full_name":"Calcabrini, Mariano","last_name":"Calcabrini","first_name":"Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez"}],"acknowledgement":"This work was financially supported by ISTA and the Werner Siemens Foundation. M.C. has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement no. 665385.","oa":1,"publisher":"American Chemical Society","quality_controlled":"1","publication":"Chemistry of Materials","day":"20","year":"2022","has_accepted_license":"1","isi":1,"date_created":"2023-01-16T09:51:26Z","doi":"10.1021/acs.chemmater.2c01967","date_published":"2022-09-20T00:00:00Z","page":"8471-8489"},{"department":[{"_id":"MaIb"}],"date_updated":"2023-10-03T10:14:34Z","type":"journal_article","article_type":"original","status":"public","_id":"10566","volume":433,"ec_funded":1,"publication_identifier":{"issn":["1385-8947"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://ddd.uab.cat/pub/artpub/2022/270830/10.1016j.cej.2021.133837.pdf"}],"month":"04","intvolume":" 433","abstract":[{"text":"A versatile, scalable, room temperature and surfactant-free route for the synthesis of metal chalcogenide nanoparticles in aqueous solution is detailed here for the production of PbS and Cu-doped PbS nanoparticles. Subsequently, nanoparticles are annealed in a reducing atmosphere to remove surface oxide, and consolidated into dense polycrystalline materials by means of spark plasma sintering. By characterizing the transport properties of the sintered material, we observe the annealing step and the incorporation of Cu to play a key role in promoting the thermoelectric performance of PbS. The presence of Cu allows improving the electrical conductivity by increasing the charge carrier concentration and simultaneously maintaining a large charge carrier mobility, which overall translates into record power factors at ambient temperature, 2.3 mWm-1K−2. Simultaneously, the lattice thermal conductivity decreases with the introduction of Cu, leading to a record high ZT = 0.37 at room temperature and ZT = 1.22 at 773 K. Besides, a record average ZTave = 0.76 is demonstrated in the temperature range 320–773 K for n-type Pb0.955Cu0.045S.","lang":"eng"}],"oa_version":"Submitted Version","author":[{"full_name":"Li, Mengyao","last_name":"Li","first_name":"Mengyao"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"last_name":"Zhang","full_name":"Zhang, Ting","first_name":"Ting"},{"last_name":"Yang","full_name":"Yang, Dawei","first_name":"Dawei"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"external_id":{"isi":["000773425200006"]},"article_processing_charge":"No","title":"Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application","citation":{"mla":"Li, Mengyao, et al. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” Chemical Engineering Journal, vol. 433, 133837, Elsevier, 2022, doi:10.1016/j.cej.2021.133837.","ama":"Li M, Liu Y, Zhang Y, et al. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. Chemical Engineering Journal. 2022;433. doi:10.1016/j.cej.2021.133837","apa":"Li, M., Liu, Y., Zhang, Y., Chang, C., Zhang, T., Yang, D., … Cabot, A. (2022). Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. Chemical Engineering Journal. Elsevier. https://doi.org/10.1016/j.cej.2021.133837","ieee":"M. Li et al., “Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application,” Chemical Engineering Journal, vol. 433. Elsevier, 2022.","short":"M. Li, Y. Liu, Y. Zhang, C. Chang, T. Zhang, D. Yang, K. Xiao, J. Arbiol, M. Ibáñez, A. Cabot, Chemical Engineering Journal 433 (2022).","chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Cheng Chang, Ting Zhang, Dawei Yang, Ke Xiao, Jordi Arbiol, Maria Ibáñez, and Andreu Cabot. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” Chemical Engineering Journal. Elsevier, 2022. https://doi.org/10.1016/j.cej.2021.133837.","ista":"Li M, Liu Y, Zhang Y, Chang C, Zhang T, Yang D, Xiao K, Arbiol J, Ibáñez M, Cabot A. 2022. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. Chemical Engineering Journal. 433, 133837."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","project":[{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425"},{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"article_number":"133837","doi":"10.1016/j.cej.2021.133837","date_published":"2022-04-01T00:00:00Z","date_created":"2021-12-19T23:01:33Z","isi":1,"year":"2022","day":"01","publication":"Chemical Engineering Journal","quality_controlled":"1","publisher":"Elsevier","oa":1,"acknowledgement":"This work was supported by the European Regional Development Funds. MYL, YZ, DWY and KX thank the China Scholarship Council for scholarship support. YL acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411 and the funding for scientific research startup of Hefei University of Technology (No. 13020-03712021049). MI acknowledges funding from IST Austria and the Werner Siemens Foundation. CC acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. TZ has received funding from the CSC-UAB PhD scholarship program. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 thanks support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme / Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program."},{"page":"48212-48219","date_created":"2023-01-16T09:51:10Z","date_published":"2022-10-14T00:00:00Z","doi":"10.1021/acsami.2c11627","year":"2022","isi":1,"publication":"ACS Applied Materials & Interfaces","day":"14","quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"This work was supported by the Spanish MCIN project COMBENERGY (PID2019-105490RB-C32). X.W. and L.Y. thank the China Scholarship Council (CSC) for the scholarship support.","article_processing_charge":"No","external_id":{"isi":["000873782700001"],"pmid":["36239982"]},"author":[{"last_name":"Wang","full_name":"Wang, Xiang","first_name":"Xiang"},{"first_name":"Yong","full_name":"Zuo, Yong","last_name":"Zuo"},{"first_name":"Sharona","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","full_name":"Horta, Sharona"},{"first_name":"Ren","last_name":"He","full_name":"He, Ren"},{"first_name":"Linlin","full_name":"Yang, Linlin","last_name":"Yang"},{"full_name":"Ostovari Moghaddam, Ahmad","last_name":"Ostovari Moghaddam","first_name":"Ahmad"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"last_name":"Qi","full_name":"Qi, Xueqiang","first_name":"Xueqiang"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"title":"CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction","citation":{"mla":"Wang, Xiang, et al. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” ACS Applied Materials & Interfaces, vol. 14, no. 42, American Chemical Society, 2022, pp. 48212–19, doi:10.1021/acsami.2c11627.","short":"X. Wang, Y. Zuo, S. Horta, R. He, L. Yang, A. Ostovari Moghaddam, M. Ibáñez, X. Qi, A. Cabot, ACS Applied Materials & Interfaces 14 (2022) 48212–48219.","ieee":"X. Wang et al., “CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction,” ACS Applied Materials & Interfaces, vol. 14, no. 42. American Chemical Society, pp. 48212–48219, 2022.","ama":"Wang X, Zuo Y, Horta S, et al. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. 2022;14(42):48212-48219. doi:10.1021/acsami.2c11627","apa":"Wang, X., Zuo, Y., Horta, S., He, R., Yang, L., Ostovari Moghaddam, A., … Cabot, A. (2022). CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.2c11627","chicago":"Wang, Xiang, Yong Zuo, Sharona Horta, Ren He, Linlin Yang, Ahmad Ostovari Moghaddam, Maria Ibáñez, Xueqiang Qi, and Andreu Cabot. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” ACS Applied Materials & Interfaces. American Chemical Society, 2022. https://doi.org/10.1021/acsami.2c11627.","ista":"Wang X, Zuo Y, Horta S, He R, Yang L, Ostovari Moghaddam A, Ibáñez M, Qi X, Cabot A. 2022. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. 14(42), 48212–48219."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","volume":14,"issue":"42","publication_status":"published","publication_identifier":{"eissn":["1944-8252"],"issn":["1944-8244"]},"language":[{"iso":"eng"}],"scopus_import":"1","intvolume":" 14","month":"10","abstract":[{"text":"High-entropy materials offer numerous advantages as catalysts, including a flexible composition to tune the catalytic activity and selectivity and a large variety of adsorption/reaction sites for multistep or multiple reactions. Herein, we report on the synthesis, properties, and electrocatalytic performance of an amorphous high-entropy boride based on abundant transition metals, CoFeNiMnZnB. This metal boride provides excellent performance toward the oxygen evolution reaction (OER), including a low overpotential of 261 mV at 10 mA cm–2, a reduced Tafel slope of 56.8 mV dec–1, and very high stability. The outstanding OER performance of CoFeNiMnZnB is attributed to the synergistic interactions between the different metals, the leaching of Zn ions, the generation of oxygen vacancies, and the in situ formation of an amorphous oxyhydroxide at the CoFeNiMnZnB surface during the OER.","lang":"eng"}],"pmid":1,"oa_version":"None","department":[{"_id":"MaIb"}],"date_updated":"2023-10-04T08:28:14Z","article_type":"original","type":"journal_article","keyword":["General Materials Science"],"status":"public","_id":"12236"},{"_id":"11144","status":"public","type":"journal_article","article_type":"original","date_updated":"2023-10-16T09:10:36Z","department":[{"_id":"MaIb"}],"oa_version":"None","pmid":1,"abstract":[{"text":"Thermoelectric materials allow for direct conversion between heat and electricity, offering the potential for power generation. The average dimensionless figure of merit ZTave determines device efficiency. N-type tin selenide crystals exhibit outstanding three-dimensional charge and two-dimensional phonon transport along the out-of-plane direction, contributing to a high maximum figure of merit Zmax of ~3.6 × 10−3 per kelvin but a moderate ZTave of ~1.1. We found an attractive high Zmax of ~4.1 × 10−3 per kelvin at 748 kelvin and a ZTave of ~1.7 at 300 to 773 kelvin in chlorine-doped and lead-alloyed tin selenide crystals by phonon-electron decoupling. The chlorine-induced low deformation potential improved the carrier mobility. The lead-induced mass and strain fluctuations reduced the lattice thermal conductivity. Phonon-electron decoupling plays a critical role to achieve high-performance thermoelectrics.","lang":"eng"}],"intvolume":" 375","month":"03","scopus_import":"1","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["1095-9203"]},"issue":"6587","volume":375,"project":[{"grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ista":"Su L, Wang D, Wang S, Qin B, Wang Y, Qin Y, Jin Y, Chang C, Zhao LD. 2022. High thermoelectric performance realized through manipulating layered phonon-electron decoupling. Science. 375(6587), 1385–1389.","chicago":"Su, Lizhong, Dongyang Wang, Sining Wang, Bingchao Qin, Yuping Wang, Yongxin Qin, Yang Jin, Cheng Chang, and Li Dong Zhao. “High Thermoelectric Performance Realized through Manipulating Layered Phonon-Electron Decoupling.” Science. American Association for the Advancement of Science, 2022. https://doi.org/10.1126/science.abn8997.","short":"L. Su, D. Wang, S. Wang, B. Qin, Y. Wang, Y. Qin, Y. Jin, C. Chang, L.D. Zhao, Science 375 (2022) 1385–1389.","ieee":"L. Su et al., “High thermoelectric performance realized through manipulating layered phonon-electron decoupling,” Science, vol. 375, no. 6587. American Association for the Advancement of Science, pp. 1385–1389, 2022.","ama":"Su L, Wang D, Wang S, et al. High thermoelectric performance realized through manipulating layered phonon-electron decoupling. Science. 2022;375(6587):1385-1389. doi:10.1126/science.abn8997","apa":"Su, L., Wang, D., Wang, S., Qin, B., Wang, Y., Qin, Y., … Zhao, L. D. (2022). High thermoelectric performance realized through manipulating layered phonon-electron decoupling. Science. American Association for the Advancement of Science. https://doi.org/10.1126/science.abn8997","mla":"Su, Lizhong, et al. “High Thermoelectric Performance Realized through Manipulating Layered Phonon-Electron Decoupling.” Science, vol. 375, no. 6587, American Association for the Advancement of Science, 2022, pp. 1385–89, doi:10.1126/science.abn8997."},"title":"High thermoelectric performance realized through manipulating layered phonon-electron decoupling","external_id":{"pmid":["35324303"],"isi":["000778894800038"]},"article_processing_charge":"No","author":[{"first_name":"Lizhong","last_name":"Su","full_name":"Su, Lizhong"},{"first_name":"Dongyang","last_name":"Wang","full_name":"Wang, Dongyang"},{"last_name":"Wang","full_name":"Wang, Sining","first_name":"Sining"},{"last_name":"Qin","full_name":"Qin, Bingchao","first_name":"Bingchao"},{"first_name":"Yuping","last_name":"Wang","full_name":"Wang, Yuping"},{"full_name":"Qin, Yongxin","last_name":"Qin","first_name":"Yongxin"},{"full_name":"Jin, Yang","last_name":"Jin","first_name":"Yang"},{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"last_name":"Zhao","full_name":"Zhao, Li Dong","first_name":"Li Dong"}],"acknowledgement":"This work was supported by the Basic Science Center Project of the National Natural Science Foundation of China (51788104), the National Key Research and Development Program of China (2018YFA0702100), the National Science Fund for Distinguished Young Scholars (51925101), the 111 Project (B17002), the Lise Meitner Project (M2889-N), and the National Key Research and Development Program of China (2018YFB0703600). This work is also supported by the National Postdoctoral Program for Innovative Talents (BX20200028). L.-D.Z. is thankful for the high-performance computing resources at Beihang University.","quality_controlled":"1","publisher":"American Association for the Advancement of Science","publication":"Science","day":"25","year":"2022","isi":1,"date_created":"2022-04-10T22:01:40Z","doi":"10.1126/science.abn8997","date_published":"2022-03-25T00:00:00Z","page":"1385-1389"},{"abstract":[{"text":"Future LEDs could be based on lead halide perovskites. A breakthrough in preparing device-compatible solids composed of nanoscale perovskite crystals overcomes a long-standing hurdle in making blue perovskite LEDs.","lang":"eng"}],"pmid":1,"oa_version":"None","intvolume":" 612","month":"12","publication_status":"published","publication_identifier":{"eissn":["1476-4687"],"issn":["0028-0836"]},"language":[{"iso":"eng"}],"volume":612,"issue":"7941","_id":"14437","type":"journal_article","article_type":"letter_note","keyword":["Multidisciplinary"],"status":"public","date_updated":"2023-10-18T06:26:30Z","department":[{"_id":"MaIb"}],"quality_controlled":"1","publisher":"Springer Nature","year":"2022","publication":"Nature","day":"21","page":"638-639","date_created":"2023-10-17T11:14:43Z","date_published":"2022-12-21T00:00:00Z","doi":"10.1038/d41586-022-04447-0","citation":{"chicago":"Utzat, Hendrik, and Maria Ibáñez. “Molecular Engineering Enables Bright Blue LEDs.” Nature. Springer Nature, 2022. https://doi.org/10.1038/d41586-022-04447-0.","ista":"Utzat H, Ibáñez M. 2022. Molecular engineering enables bright blue LEDs. Nature. 612(7941), 638–639.","mla":"Utzat, Hendrik, and Maria Ibáñez. “Molecular Engineering Enables Bright Blue LEDs.” Nature, vol. 612, no. 7941, Springer Nature, 2022, pp. 638–39, doi:10.1038/d41586-022-04447-0.","ama":"Utzat H, Ibáñez M. Molecular engineering enables bright blue LEDs. Nature. 2022;612(7941):638-639. doi:10.1038/d41586-022-04447-0","apa":"Utzat, H., & Ibáñez, M. (2022). Molecular engineering enables bright blue LEDs. Nature. Springer Nature. https://doi.org/10.1038/d41586-022-04447-0","short":"H. Utzat, M. Ibáñez, Nature 612 (2022) 638–639.","ieee":"H. Utzat and M. Ibáñez, “Molecular engineering enables bright blue LEDs,” Nature, vol. 612, no. 7941. Springer Nature, pp. 638–639, 2022."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"pmid":["36543947"]},"article_processing_charge":"No","author":[{"last_name":"Utzat","full_name":"Utzat, Hendrik","first_name":"Hendrik"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"}],"title":"Molecular engineering enables bright blue LEDs"},{"publisher":"Royal Society of Chemistry","quality_controlled":"1","acknowledgement":"We acknowledge support from the National Key Research and Development Program of China (2018YFA0702100), the National Natural Science Foundation of China (51571007, 51772012, 52002011 and 52002042), the Basic Science Center Project of National Natural Science Foundation of China (51788104), Beijing Natural Science Foundation (JQ18004), 111 Project (B17002), and the National Science Fund for Distinguished Young Scholars (51925101).","page":"4527-4541","doi":"10.1039/d2ee02408j","date_published":"2022-11-01T00:00:00Z","date_created":"2023-01-12T12:08:41Z","isi":1,"year":"2022","day":"01","publication":"Energy & Environmental Science","author":[{"full_name":"Qin, Yongxin","last_name":"Qin","first_name":"Yongxin"},{"last_name":"Qin","full_name":"Qin, Bingchao","first_name":"Bingchao"},{"last_name":"Wang","full_name":"Wang, Dongyang","first_name":"Dongyang"},{"last_name":"Chang","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng"},{"first_name":"Li-Dong","last_name":"Zhao","full_name":"Zhao, Li-Dong"}],"article_processing_charge":"No","external_id":{"isi":["000863642400001"]},"title":"Solid-state cooling: Thermoelectrics","citation":{"ista":"Qin Y, Qin B, Wang D, Chang C, Zhao L-D. 2022. Solid-state cooling: Thermoelectrics. Energy & Environmental Science. 15(11), 4527–4541.","chicago":"Qin, Yongxin, Bingchao Qin, Dongyang Wang, Cheng Chang, and Li-Dong Zhao. “Solid-State Cooling: Thermoelectrics.” Energy & Environmental Science. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d2ee02408j.","ama":"Qin Y, Qin B, Wang D, Chang C, Zhao L-D. Solid-state cooling: Thermoelectrics. Energy & Environmental Science. 2022;15(11):4527-4541. doi:10.1039/d2ee02408j","apa":"Qin, Y., Qin, B., Wang, D., Chang, C., & Zhao, L.-D. (2022). Solid-state cooling: Thermoelectrics. Energy & Environmental Science. Royal Society of Chemistry. https://doi.org/10.1039/d2ee02408j","short":"Y. Qin, B. Qin, D. Wang, C. Chang, L.-D. Zhao, Energy & Environmental Science 15 (2022) 4527–4541.","ieee":"Y. Qin, B. Qin, D. Wang, C. Chang, and L.-D. Zhao, “Solid-state cooling: Thermoelectrics,” Energy & Environmental Science, vol. 15, no. 11. Royal Society of Chemistry, pp. 4527–4541, 2022.","mla":"Qin, Yongxin, et al. “Solid-State Cooling: Thermoelectrics.” Energy & Environmental Science, vol. 15, no. 11, Royal Society of Chemistry, 2022, pp. 4527–41, doi:10.1039/d2ee02408j."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","month":"11","intvolume":" 15","abstract":[{"lang":"eng","text":"The growing demand of thermal management in various fields such as miniaturized 5G chips has motivated researchers to develop new and high-performance solid-state refrigeration technologies, typically including multicaloric and thermoelectric (TE) cooling. Among them, TE cooling has attracted huge attention owing to its advantages of rapid response, large cooling temperature difference, high stability, and tunable device size. Bi2Te3-based alloys have long been the only commercialized TE cooling materials, while novel systems SnSe and Mg3(Bi,Sb)2 have recently been discovered as potential candidates. However, challenges and problems still require to be summarized and further resolved for realizing better cooling performance. In this review, we systematically investigate TE cooling from its internal mechanism, crucial parameters, to device design and applications. Furthermore, we summarize the current optimization strategies for existing TE cooling materials, and finally provide some personal prospects especially the material-planification concept on future research on establishing better TE cooling."}],"oa_version":"None","issue":"11","related_material":{"link":[{"relation":"erratum","url":"https://doi.org/10.1039/d3ee90067c"}]},"volume":15,"publication_identifier":{"eissn":["1754-5706"],"issn":["1754-5692"]},"publication_status":"published","language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","status":"public","keyword":["Pollution","Nuclear Energy and Engineering","Renewable Energy","Sustainability and the Environment","Environmental Chemistry"],"_id":"12155","department":[{"_id":"MaIb"}],"date_updated":"2024-01-22T08:13:43Z"},{"title":"Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate","article_processing_charge":"Yes (via OA deal)","author":[{"full_name":"Calcabrini, Mariano","last_name":"Calcabrini","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano"},{"first_name":"Dietger","full_name":"Van den Eynden, Dietger","last_name":"Van den Eynden"},{"full_name":"Sanchez Ribot, Sergi","last_name":"Sanchez Ribot","id":"ddae5a59-f6e0-11ea-865d-d9dc61e77a2a","first_name":"Sergi"},{"first_name":"Rohan","last_name":"Pokratath","full_name":"Pokratath, Rohan"},{"first_name":"Jordi","last_name":"Llorca","full_name":"Llorca, Jordi"},{"first_name":"Jonathan","full_name":"De Roo, Jonathan","last_name":"De Roo"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"}],"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","citation":{"apa":"Calcabrini, M., Van den Eynden, D., Sanchez Ribot, S., Pokratath, R., Llorca, J., De Roo, J., & Ibáñez, M. (2021). Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. JACS Au. American Chemical Society. https://doi.org/10.1021/jacsau.1c00349","ama":"Calcabrini M, Van den Eynden D, Sanchez Ribot S, et al. Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. JACS Au. 2021;1(11):1898-1903. doi:10.1021/jacsau.1c00349","ieee":"M. Calcabrini et al., “Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate,” JACS Au, vol. 1, no. 11. American Chemical Society, pp. 1898–1903, 2021.","short":"M. Calcabrini, D. Van den Eynden, S. Sanchez Ribot, R. Pokratath, J. Llorca, J. De Roo, M. Ibáñez, JACS Au 1 (2021) 1898–1903.","mla":"Calcabrini, Mariano, et al. “Ligand Conversion in Nanocrystal Synthesis: The Oxidation of Alkylamines to Fatty Acids by Nitrate.” JACS Au, vol. 1, no. 11, American Chemical Society, 2021, pp. 1898–903, doi:10.1021/jacsau.1c00349.","ista":"Calcabrini M, Van den Eynden D, Sanchez Ribot S, Pokratath R, Llorca J, De Roo J, Ibáñez M. 2021. Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate. JACS Au. 1(11), 1898–1903.","chicago":"Calcabrini, Mariano, Dietger Van den Eynden, Sergi Sanchez Ribot, Rohan Pokratath, Jordi Llorca, Jonathan De Roo, and Maria Ibáñez. “Ligand Conversion in Nanocrystal Synthesis: The Oxidation of Alkylamines to Fatty Acids by Nitrate.” JACS Au. American Chemical Society, 2021. https://doi.org/10.1021/jacsau.1c00349."},"project":[{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","name":"International IST Doctoral Program","grant_number":"665385"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"_id":"B67AFEDC-15C9-11EA-A837-991A96BB2854","name":"IST Austria Open Access Fund"}],"date_created":"2022-03-02T15:24:16Z","doi":"10.1021/jacsau.1c00349","date_published":"2021-11-22T00:00:00Z","page":"1898-1903","publication":"JACS Au","day":"22","year":"2021","has_accepted_license":"1","oa":1,"publisher":"American Chemical Society","quality_controlled":"1","acknowledgement":"This work was financially supported by IST Austria and the Werner Siemens Foundation. M.C. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. The work was also financially supported by University of Basel, SNSF NCCR Molecular Systems Engineering (project number: 182895) and SNSF R’equip (project number: 189622). J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program and MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128 projects.","file_date_updated":"2022-03-02T15:33:18Z","department":[{"_id":"MaIb"}],"ddc":["540"],"date_updated":"2023-05-05T08:45:36Z","keyword":["general medicine"],"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","_id":"10806","ec_funded":1,"related_material":{"link":[{"url":"https://doi.org/10.26434/chemrxiv-2021-cn2fr","relation":"earlier_version"}],"record":[{"id":"12885","status":"public","relation":"dissertation_contains"}]},"issue":"11","volume":1,"language":[{"iso":"eng"}],"file":[{"date_created":"2022-03-02T15:33:18Z","file_name":"2021_JACSAu_Calcabrini.pdf","creator":"cchlebak","date_updated":"2022-03-02T15:33:18Z","file_size":1257973,"file_id":"10807","checksum":"1c66a35369e911312a359111420318a9","success":1,"access_level":"open_access","relation":"main_file","content_type":"application/pdf"}],"publication_status":"published","publication_identifier":{"eissn":["2691-3704"],"issn":["2691-3704"]},"intvolume":" 1","month":"11","oa_version":"Published Version","abstract":[{"lang":"eng","text":"Ligands are a fundamental part of nanocrystals. They control and direct nanocrystal syntheses and provide colloidal stability. Bound ligands also affect the nanocrystals’ chemical reactivity and electronic structure. Surface chemistry is thus crucial to understand nanocrystal properties and functionality. Here, we investigate the synthesis of metal oxide nanocrystals (CeO2-x, ZnO, and NiO) from metal nitrate precursors, in the presence of oleylamine ligands. Surprisingly, the nanocrystals are capped exclusively with a fatty acid instead of oleylamine. Analysis of the reaction mixtures with nuclear magnetic resonance spectroscopy revealed several reaction byproducts and intermediates that are common to the decomposition of Ce, Zn, Ni, and Zr nitrate precursors. Our evidence supports the oxidation of alkylamine and formation of a carboxylic acid, thus unraveling this counterintuitive surface chemistry."}]},{"day":"20","publication":"ACS Energy Letters","has_accepted_license":"1","isi":1,"year":"2021","date_published":"2021-01-20T00:00:00Z","doi":"10.1021/acsenergylett.0c02448","date_created":"2021-02-14T23:01:14Z","page":"581-587","acknowledgement":"M.C. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. ICN2\r\nacknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 − ESTEEM3. M.V.K. acknowledges the support by the European Research Council under the Horizon 2020 Framework Program (ERC Consolidator Grant SCALEHALO\r\nGrant Agreement No. 819740) and by FET-OPEN project no. 862656 (DROP-IT).","quality_controlled":"1","publisher":"American Chemical Society","oa":1,"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ista":"Calcabrini M, Genc A, Liu Y, Kleinhanns T, Lee S, Dirin DN, Akkerman QA, Kovalenko MV, Arbiol J, Ibáñez M. 2021. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. ACS Energy Letters. 6(2), 581–587.","chicago":"Calcabrini, Mariano, Aziz Genc, Yu Liu, Tobias Kleinhanns, Seungho Lee, Dmitry N. Dirin, Quinten A. Akkerman, Maksym V. Kovalenko, Jordi Arbiol, and Maria Ibáñez. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” ACS Energy Letters. American Chemical Society, 2021. https://doi.org/10.1021/acsenergylett.0c02448.","ama":"Calcabrini M, Genc A, Liu Y, et al. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. ACS Energy Letters. 2021;6(2):581-587. doi:10.1021/acsenergylett.0c02448","apa":"Calcabrini, M., Genc, A., Liu, Y., Kleinhanns, T., Lee, S., Dirin, D. N., … Ibáñez, M. (2021). Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. ACS Energy Letters. American Chemical Society. https://doi.org/10.1021/acsenergylett.0c02448","ieee":"M. Calcabrini et al., “Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites,” ACS Energy Letters, vol. 6, no. 2. American Chemical Society, pp. 581–587, 2021.","short":"M. Calcabrini, A. Genc, Y. Liu, T. Kleinhanns, S. Lee, D.N. Dirin, Q.A. Akkerman, M.V. Kovalenko, J. Arbiol, M. Ibáñez, ACS Energy Letters 6 (2021) 581–587.","mla":"Calcabrini, Mariano, et al. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” ACS Energy Letters, vol. 6, no. 2, American Chemical Society, 2021, pp. 581–87, doi:10.1021/acsenergylett.0c02448."},"title":"Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites","author":[{"first_name":"Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","last_name":"Calcabrini","full_name":"Calcabrini, Mariano"},{"last_name":"Genc","full_name":"Genc, Aziz","first_name":"Aziz"},{"first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu"},{"first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","full_name":"Kleinhanns, Tobias","last_name":"Kleinhanns"},{"last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"full_name":"Dirin, Dmitry N.","last_name":"Dirin","first_name":"Dmitry N."},{"full_name":"Akkerman, Quinten A.","last_name":"Akkerman","first_name":"Quinten A."},{"last_name":"Kovalenko","full_name":"Kovalenko, Maksym V.","first_name":"Maksym V."},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"}],"external_id":{"isi":["000619803400036"]},"article_processing_charge":"Yes (via OA deal)","project":[{"name":"International IST Doctoral Program","grant_number":"665385","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"file":[{"date_created":"2021-02-17T07:36:52Z","file_name":"2021_ACSEnergyLetters_Calcabrini.pdf","date_updated":"2021-02-17T07:36:52Z","file_size":5071201,"creator":"dernst","checksum":"6fa7374bf8b95fdfe6e6c595322a6689","file_id":"9155","success":1,"content_type":"application/pdf","access_level":"open_access","relation":"main_file"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["2380-8195"]},"publication_status":"published","related_material":{"record":[{"status":"public","id":"12885","relation":"dissertation_contains"}]},"issue":"2","volume":6,"ec_funded":1,"oa_version":"Published Version","abstract":[{"text":"Cesium lead halides have intrinsically unstable crystal lattices and easily transform within perovskite and nonperovskite structures. In this work, we explore the conversion of the perovskite CsPbBr3 into Cs4PbBr6 in the presence of PbS at 450 °C to produce doped nanocrystal-based composites with embedded Cs4PbBr6 nanoprecipitates. We show that PbBr2 is extracted from CsPbBr3 and diffuses into the PbS lattice with a consequent increase in the concentration of free charge carriers. This new doping strategy enables the adjustment of the density of charge carriers between 1019 and 1020 cm–3, and it may serve as a general strategy for doping other nanocrystal-based semiconductors.","lang":"eng"}],"month":"01","intvolume":" 6","scopus_import":"1","ddc":["540"],"date_updated":"2023-08-07T13:46:00Z","file_date_updated":"2021-02-17T07:36:52Z","department":[{"_id":"MaIb"}],"_id":"9118","status":"public","article_type":"original","type":"journal_article","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"}},{"quality_controlled":"1","publisher":"MDPI","oa":1,"acknowledgement":"This work was supported by European Regional Development Funds and the Framework 7\r\nprogram under project UNION (FP7-NMP 310250). GSN acknowledges support from the US National Science Foundation under grant No. DMR-1748188. DC acknowledges support from COLCIENCIAS under project 120480863414. ","date_published":"2021-02-10T00:00:00Z","doi":"10.3390/ma14040853","date_created":"2021-02-28T23:01:24Z","has_accepted_license":"1","isi":1,"year":"2021","day":"10","publication":"Materials","article_number":"853","author":[{"full_name":"Cadavid, Doris","last_name":"Cadavid","first_name":"Doris"},{"full_name":"Wei, Kaya","last_name":"Wei","first_name":"Kaya"},{"orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","last_name":"Liu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"full_name":"Li, Mengyao","last_name":"Li","first_name":"Mengyao"},{"first_name":"Aziz","full_name":"Genç, Aziz","last_name":"Genç"},{"first_name":"Taisiia","full_name":"Berestok, Taisiia","last_name":"Berestok"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"full_name":"Shavel, Alexey","last_name":"Shavel","first_name":"Alexey"},{"first_name":"George S.","full_name":"Nolas, George S.","last_name":"Nolas"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"external_id":{"isi":["000624094100001"]},"article_processing_charge":"No","title":"Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks","citation":{"mla":"Cadavid, Doris, et al. “Synthesis, Bottom up Assembly and Thermoelectric Properties of Sb-Doped PbS Nanocrystal Building Blocks.” Materials, vol. 14, no. 4, 853, MDPI, 2021, doi:10.3390/ma14040853.","ama":"Cadavid D, Wei K, Liu Y, et al. Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. Materials. 2021;14(4). doi:10.3390/ma14040853","apa":"Cadavid, D., Wei, K., Liu, Y., Zhang, Y., Li, M., Genç, A., … Cabot, A. (2021). Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. Materials. MDPI. https://doi.org/10.3390/ma14040853","short":"D. Cadavid, K. Wei, Y. Liu, Y. Zhang, M. Li, A. Genç, T. Berestok, M. Ibáñez, A. Shavel, G.S. Nolas, A. Cabot, Materials 14 (2021).","ieee":"D. Cadavid et al., “Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks,” Materials, vol. 14, no. 4. MDPI, 2021.","chicago":"Cadavid, Doris, Kaya Wei, Yu Liu, Yu Zhang, Mengyao Li, Aziz Genç, Taisiia Berestok, et al. “Synthesis, Bottom up Assembly and Thermoelectric Properties of Sb-Doped PbS Nanocrystal Building Blocks.” Materials. MDPI, 2021. https://doi.org/10.3390/ma14040853.","ista":"Cadavid D, Wei K, Liu Y, Zhang Y, Li M, Genç A, Berestok T, Ibáñez M, Shavel A, Nolas GS, Cabot A. 2021. Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. Materials. 14(4), 853."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","month":"02","intvolume":" 14","abstract":[{"lang":"eng","text":"The precise engineering of thermoelectric materials using nanocrystals as their building blocks has proven to be an excellent strategy to increase energy conversion efficiency. Here we present a synthetic route to produce Sb-doped PbS colloidal nanoparticles. These nanoparticles are then consolidated into nanocrystalline PbS:Sb using spark plasma sintering. We demonstrate that the introduction of Sb significantly influences the size, geometry, crystal lattice and especially the carrier concentration of PbS. The increase of charge carrier concentration achieved with the introduction of Sb translates into an increase of the electrical and thermal conductivities and a decrease of the Seebeck coefficient. Overall, PbS:Sb nanomaterial were characterized by two-fold higher thermoelectric figures of merit than undoped PbS. "}],"oa_version":"Published Version","issue":"4","volume":14,"publication_identifier":{"eissn":["1996-1944"]},"publication_status":"published","file":[{"date_created":"2021-03-03T07:32:01Z","file_name":"2021_Materials_Cadavid.pdf","date_updated":"2021-03-03T07:32:01Z","file_size":2722517,"creator":"dernst","file_id":"9218","checksum":"76d6c7f97b810ce504ab151c9bf3524e","success":1,"content_type":"application/pdf","access_level":"open_access","relation":"main_file"}],"language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"status":"public","_id":"9206","file_date_updated":"2021-03-03T07:32:01Z","department":[{"_id":"MaIb"}],"date_updated":"2023-08-07T13:50:03Z","ddc":["540"]},{"date_created":"2021-07-04T22:01:24Z","date_published":"2021-06-03T00:00:00Z","doi":"10.1016/j.mtphys.2021.100452","year":"2021","isi":1,"publication":"Materials Today Physics","day":"03","publisher":"Elsevier","quality_controlled":"1","acknowledgement":"This work was supported by National Natural Science Foundation of China (51772012), National Key Research and Development Program of China (2018YFA0702100 and 2018YFB0703600), the Beijing Natural Science Foundation (JQ18004). This work was also supported by Lise Meitner Project (M2889-N) and the National Postdoctoral Program for Innovative Talents (BX20200028). L.D.Z. appreciates the support of the High Performance Computing (HPC) resources at Beihang University, the National Science Fund for Distinguished Young Scholars (51925101), and center for High Pressure Science and Technology Advanced Research (HPSTAR) for SEM measurements.","article_processing_charge":"No","external_id":{"isi":["000703159600010"]},"author":[{"last_name":"Su","full_name":"Su, Lizhong","first_name":"Lizhong"},{"full_name":"Hong, Tao","last_name":"Hong","first_name":"Tao"},{"first_name":"Dongyang","full_name":"Wang, Dongyang","last_name":"Wang"},{"last_name":"Wang","full_name":"Wang, Sining","first_name":"Sining"},{"full_name":"Qin, Bingchao","last_name":"Qin","first_name":"Bingchao"},{"first_name":"Mengmeng","full_name":"Zhang, Mengmeng","last_name":"Zhang"},{"first_name":"Xiang","full_name":"Gao, Xiang","last_name":"Gao"},{"id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","last_name":"Chang","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277"},{"full_name":"Zhao, Li Dong","last_name":"Zhao","first_name":"Li Dong"}],"title":"Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation","citation":{"ista":"Su L, Hong T, Wang D, Wang S, Qin B, Zhang M, Gao X, Chang C, Zhao LD. 2021. Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation. Materials Today Physics. 20, 100452.","chicago":"Su, Lizhong, Tao Hong, Dongyang Wang, Sining Wang, Bingchao Qin, Mengmeng Zhang, Xiang Gao, Cheng Chang, and Li Dong Zhao. “Realizing High Doping Efficiency and Thermoelectric Performance in N-Type SnSe Polycrystals via Bandgap Engineering and Vacancy Compensation.” Materials Today Physics. Elsevier, 2021. https://doi.org/10.1016/j.mtphys.2021.100452.","ama":"Su L, Hong T, Wang D, et al. Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation. Materials Today Physics. 2021;20. doi:10.1016/j.mtphys.2021.100452","apa":"Su, L., Hong, T., Wang, D., Wang, S., Qin, B., Zhang, M., … Zhao, L. D. (2021). Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation. Materials Today Physics. Elsevier. https://doi.org/10.1016/j.mtphys.2021.100452","short":"L. Su, T. Hong, D. Wang, S. Wang, B. Qin, M. Zhang, X. Gao, C. Chang, L.D. Zhao, Materials Today Physics 20 (2021).","ieee":"L. Su et al., “Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation,” Materials Today Physics, vol. 20. Elsevier, 2021.","mla":"Su, Lizhong, et al. “Realizing High Doping Efficiency and Thermoelectric Performance in N-Type SnSe Polycrystals via Bandgap Engineering and Vacancy Compensation.” Materials Today Physics, vol. 20, 100452, Elsevier, 2021, doi:10.1016/j.mtphys.2021.100452."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","article_number":"100452","volume":20,"publication_status":"published","publication_identifier":{"eissn":["2542-5293"]},"language":[{"iso":"eng"}],"scopus_import":"1","intvolume":" 20","month":"06","abstract":[{"lang":"eng","text":"SnSe, a wide-bandgap semiconductor, has attracted significant attention from the thermoelectric (TE) community due to its outstanding TE performance deriving from the ultralow thermal conductivity and advantageous electronic structures. Here, we promoted the TE performance of n-type SnSe polycrystals through bandgap engineering and vacancy compensation. We found that PbTe can significantly reduce the wide bandgap of SnSe to reduce the impurity transition energy, largely enhancing the carrier concentration. Also, PbTe-induced crystal symmetry promotion increases the carrier mobility, preserving large Seebeck coefficient. Consequently, a maximum ZT of ∼1.4 at 793 K is obtained in Br doped SnSe–13%PbTe. Furthermore, we found that extra Sn in n-type SnSe can compensate for the intrinsic Sn vacancies and form electron donor-like metallic Sn nanophases. The Sn nanophases near the grain boundary could also reduce the intergrain energy barrier which largely enhances the carrier mobility. As a result, a maximum ZT value of ∼1.7 at 793 K and an average ZT (ZTave) of ∼0.58 in 300–793 K are achieved in Br doped Sn1.08Se–13%PbTe. Our findings provide a novel strategy to promote the TE performance in wide-bandgap semiconductors."}],"oa_version":"None","department":[{"_id":"MaIb"}],"date_updated":"2023-08-10T13:56:31Z","article_type":"original","type":"journal_article","status":"public","_id":"9626"},{"_id":"9829","type":"journal_article","article_type":"original","status":"public","date_updated":"2023-08-11T10:55:08Z","department":[{"_id":"MaIb"}],"abstract":[{"lang":"eng","text":"In 2020, many in-person scientific events were canceled due to the COVID-19 pandemic, creating a vacuum in networking and knowledge exchange between scientists. To fill this void in scientific communication, a group of early career nanocrystal enthusiasts launched the virtual seminar series, News in Nanocrystals, in the summer of 2020. By the end of the year, the series had attracted over 850 participants from 46 countries. In this Nano Focus, we describe the process of organizing the News in Nanocrystals seminar series; discuss its growth, emphasizing what the organizers have learned in terms of diversity and accessibility; and provide an outlook for the next steps and future opportunities. This summary and analysis of experiences and learned lessons are intended to inform the broader scientific community, especially those who are looking for avenues to continue fostering discussion and scientific engagement virtually, both during the pandemic and after."}],"pmid":1,"oa_version":"Published Version","scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsnano.1c03276"}],"month":"07","intvolume":" 15","publication_identifier":{"eissn":["1936086X"],"issn":["19360851"]},"publication_status":"published","language":[{"iso":"eng"}],"issue":"7","volume":15,"citation":{"ama":"Baranov D, Šverko T, Moot T, et al. News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience. ACS Nano. 2021;15(7):10743–10747. doi:10.1021/acsnano.1c03276","apa":"Baranov, D., Šverko, T., Moot, T., Keller, H. R., Klein, M. D., Vishnu, E. K., … Shulenberger, K. E. (2021). News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.1c03276","short":"D. Baranov, T. Šverko, T. Moot, H.R. Keller, M.D. Klein, E.K. Vishnu, D. Balazs, K.E. Shulenberger, ACS Nano 15 (2021) 10743–10747.","ieee":"D. Baranov et al., “News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience,” ACS Nano, vol. 15, no. 7. American Chemical Society, pp. 10743–10747, 2021.","mla":"Baranov, Dmitry, et al. “News in Nanocrystals Seminar: Self-Assembly of Early Career Researchers toward Globally Accessible Nanoscience.” ACS Nano, vol. 15, no. 7, American Chemical Society, 2021, pp. 10743–10747, doi:10.1021/acsnano.1c03276.","ista":"Baranov D, Šverko T, Moot T, Keller HR, Klein MD, Vishnu EK, Balazs D, Shulenberger KE. 2021. News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience. ACS Nano. 15(7), 10743–10747.","chicago":"Baranov, Dmitry, Tara Šverko, Taylor Moot, Helena R. Keller, Megan D. Klein, E. K. Vishnu, Daniel Balazs, and Katherine E. Shulenberger. “News in Nanocrystals Seminar: Self-Assembly of Early Career Researchers toward Globally Accessible Nanoscience.” ACS Nano. American Chemical Society, 2021. https://doi.org/10.1021/acsnano.1c03276."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","author":[{"first_name":"Dmitry","last_name":"Baranov","full_name":"Baranov, Dmitry"},{"first_name":"Tara","full_name":"Šverko, Tara","last_name":"Šverko"},{"full_name":"Moot, Taylor","last_name":"Moot","first_name":"Taylor"},{"first_name":"Helena R.","last_name":"Keller","full_name":"Keller, Helena R."},{"first_name":"Megan D.","last_name":"Klein","full_name":"Klein, Megan D."},{"first_name":"E. K.","full_name":"Vishnu, E. K.","last_name":"Vishnu"},{"full_name":"Balazs, Daniel","orcid":"0000-0001-7597-043X","last_name":"Balazs","first_name":"Daniel","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E"},{"full_name":"Shulenberger, Katherine E.","last_name":"Shulenberger","first_name":"Katherine E."}],"article_processing_charge":"No","external_id":{"pmid":["34228432"],"isi":["000679406500002"]},"title":"News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience","acknowledgement":"K. E. Shulenberger, M. D. Klein, T. Šverko, and H. R. Keller would like to thank Professors Moungi Bawendi (MIT) and Gordana Dukovic (CU Boulder) for their feedback and support of the News in Nanocrystals initiative. The authors thank Madison Jilek (CU Boulder) and Dhananjeya Kumaar (ETH Zurich) for their help in the organization of the seminar, and Professors Brandi Cossairt (University of Washington) and Gordana Dukovic for their feedback on an earlier version of this manuscript. The authors thank all the seminar speakers and attendees for their interest and continuing participation in the seminar series.","quality_controlled":"1","publisher":"American Chemical Society","oa":1,"isi":1,"year":"2021","day":"06","publication":"ACS Nano","page":"10743–10747","date_published":"2021-07-06T00:00:00Z","doi":"10.1021/acsnano.1c03276","date_created":"2021-08-08T22:01:31Z"},{"ec_funded":1,"issue":"52","related_material":{"record":[{"status":"public","id":"12885","relation":"dissertation_contains"}]},"volume":33,"language":[{"iso":"eng"}],"file":[{"file_name":"2021_AdvancedMaterials_Liu.pdf","date_created":"2022-02-03T13:16:14Z","file_size":5595666,"date_updated":"2022-02-03T13:16:14Z","creator":"cchlebak","success":1,"checksum":"990bccc527c64d85cf1c97885110b5f4","file_id":"10720","content_type":"application/pdf","relation":"main_file","access_level":"open_access"}],"publication_status":"published","publication_identifier":{"eissn":["1521-4095"],"issn":["0935-9648"]},"intvolume":" 33","month":"12","scopus_import":"1","pmid":1,"oa_version":"Published Version","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"abstract":[{"text":"Solution synthesis of particles emerged as an alternative to prepare thermoelectric materials with less demanding processing conditions than conventional solid-state synthetic methods. However, solution synthesis generally involves the presence of additional molecules or ions belonging to the precursors or added to enable solubility and/or regulate nucleation and growth. These molecules or ions can end up in the particles as surface adsorbates and interfere in the material properties. This work demonstrates that ionic adsorbates, in particular Na⁺ ions, are electrostatically adsorbed in SnSe particles synthesized in water and play a crucial role not only in directing the material nano/microstructure but also in determining the transport properties of the consolidated material. In dense pellets prepared by sintering SnSe particles, Na remains within the crystal lattice as dopant, in dislocations, precipitates, and forming grain boundary complexions. These results highlight the importance of considering all the possible unintentional impurities to establish proper structure-property relationships and control material properties in solution-processed thermoelectric materials.","lang":"eng"}],"file_date_updated":"2022-02-03T13:16:14Z","department":[{"_id":"EM-Fac"},{"_id":"MaIb"}],"ddc":["620"],"date_updated":"2023-08-14T07:25:27Z","keyword":["mechanical engineering","mechanics of materials","general materials science"],"status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","_id":"10123","date_created":"2021-10-11T20:07:24Z","date_published":"2021-12-29T00:00:00Z","doi":"10.1002/adma.202106858","publication":"Advanced Materials","day":"29","year":"2021","has_accepted_license":"1","isi":1,"oa":1,"publisher":"Wiley","quality_controlled":"1","acknowledgement":"Y.L. and M.C. contributed equally to this work. This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. M.C. has received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. J.L. is a Serra Húnter Fellow and is grateful to ICREA Academia program. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N.","title":"The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe","external_id":{"pmid":["34626034"],"isi":["000709899300001"]},"article_processing_charge":"Yes (via OA deal)","author":[{"last_name":"Liu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Calcabrini","full_name":"Calcabrini, Mariano","orcid":"0000-0003-4566-5877","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano"},{"last_name":"Yu","full_name":"Yu, Yuan","first_name":"Yuan"},{"full_name":"Genç, Aziz","last_name":"Genç","first_name":"Aziz"},{"last_name":"Chang","orcid":"0000-0002-9515-4277","full_name":"Chang, Cheng","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"last_name":"Costanzo","orcid":"0000-0001-9732-3815","full_name":"Costanzo, Tommaso","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","first_name":"Tommaso"},{"last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","first_name":"Seungho","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","last_name":"Lee"},{"last_name":"Llorca","full_name":"Llorca, Jordi","first_name":"Jordi"},{"first_name":"Oana","full_name":"Cojocaru‐Mirédin, Oana","last_name":"Cojocaru‐Mirédin"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ista":"Liu Y, Calcabrini M, Yu Y, Genç A, Chang C, Costanzo T, Kleinhanns T, Lee S, Llorca J, Cojocaru‐Mirédin O, Ibáñez M. 2021. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials. 33(52), 2106858.","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Aziz Genç, Cheng Chang, Tommaso Costanzo, Tobias Kleinhanns, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” Advanced Materials. Wiley, 2021. https://doi.org/10.1002/adma.202106858.","ama":"Liu Y, Calcabrini M, Yu Y, et al. The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials. 2021;33(52). doi:10.1002/adma.202106858","apa":"Liu, Y., Calcabrini, M., Yu, Y., Genç, A., Chang, C., Costanzo, T., … Ibáñez, M. (2021). The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202106858","short":"Y. Liu, M. Calcabrini, Y. Yu, A. Genç, C. Chang, T. Costanzo, T. Kleinhanns, S. Lee, J. Llorca, O. Cojocaru‐Mirédin, M. Ibáñez, Advanced Materials 33 (2021).","ieee":"Y. Liu et al., “The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe,” Advanced Materials, vol. 33, no. 52. Wiley, 2021.","mla":"Liu, Yu, et al. “The Importance of Surface Adsorbates in Solution‐processed Thermoelectric Materials: The Case of SnSe.” Advanced Materials, vol. 33, no. 52, 2106858, Wiley, 2021, doi:10.1002/adma.202106858."},"project":[{"name":"International IST Doctoral Program","grant_number":"665385","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"},{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"article_number":"2106858"},{"article_number":"5416","project":[{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","grant_number":"M02889","name":"Bottom-up Engineering for Thermoelectric Applications"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ama":"Chang C, Ibáñez M. Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites. Materials. 2021;14(18). doi:10.3390/ma14185416","apa":"Chang, C., & Ibáñez, M. (2021). Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites. Materials. MDPI. https://doi.org/10.3390/ma14185416","ieee":"C. Chang and M. Ibáñez, “Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites,” Materials, vol. 14, no. 18. MDPI, 2021.","short":"C. Chang, M. Ibáñez, Materials 14 (2021).","mla":"Chang, Cheng, and Maria Ibáñez. “Enhanced Thermoelectric Performance by Surface Engineering in SnTe-PbS Nanocomposites.” Materials, vol. 14, no. 18, 5416, MDPI, 2021, doi:10.3390/ma14185416.","ista":"Chang C, Ibáñez M. 2021. Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites. Materials. 14(18), 5416.","chicago":"Chang, Cheng, and Maria Ibáñez. “Enhanced Thermoelectric Performance by Surface Engineering in SnTe-PbS Nanocomposites.” Materials. MDPI, 2021. https://doi.org/10.3390/ma14185416."},"title":"Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites","article_processing_charge":"Yes","external_id":{"isi":["000700689400001"],"pmid":["34576640"]},"author":[{"last_name":"Chang","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"}],"acknowledgement":"The authors thank the EMF facility in IST Austria for providing SEM and EDX measurements.\r\n","oa":1,"publisher":"MDPI","quality_controlled":"1","publication":"Materials","day":"19","year":"2021","isi":1,"has_accepted_license":"1","date_created":"2021-10-03T22:01:23Z","doi":"10.3390/ma14185416","date_published":"2021-09-19T00:00:00Z","_id":"10073","status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","ddc":["540"],"date_updated":"2023-08-14T08:00:01Z","department":[{"_id":"MaIb"}],"file_date_updated":"2021-10-14T11:56:39Z","oa_version":"Published Version","pmid":1,"acknowledged_ssus":[{"_id":"EM-Fac"}],"abstract":[{"lang":"eng","text":"Thermoelectric materials enable the direct conversion between heat and electricity. SnTe is a promising candidate due to its high charge transport performance. Here, we prepared SnTe nanocomposites by employing an aqueous method to synthetize SnTe nanoparticles (NP), followed by a unique surface treatment prior NP consolidation. This synthetic approach allowed optimizing the charge and phonon transport synergistically. The novelty of this strategy was the use of a soluble PbS molecular complex prepared using a thiol-amine solvent mixture that upon blending is adsorbed on the SnTe NP surface. Upon consolidation with spark plasma sintering, SnTe-PbS nanocomposite is formed. The presence of PbS complexes significantly compensates for the Sn vacancy and increases the average grain size of the nanocomposite, thus improving the carrier mobility. Moreover, lattice thermal conductivity is also reduced by the Pb and S-induced mass and strain fluctuation. As a result, an enhanced ZT of ca. 0.8 is reached at 873 K. Our finding provides a novel strategy to conduct rational surface treatment on NP-based thermoelectrics."}],"intvolume":" 14","month":"09","scopus_import":"1","language":[{"iso":"eng"}],"file":[{"date_created":"2021-10-14T11:56:39Z","file_name":"2021_Materials_Chang.pdf","date_updated":"2021-10-14T11:56:39Z","file_size":4404141,"creator":"cchlebak","checksum":"4929dfc673a3ae77c010b6174279cc1d","file_id":"10140","success":1,"content_type":"application/pdf","access_level":"open_access","relation":"main_file"}],"publication_status":"published","publication_identifier":{"eissn":["1996-1944"]},"issue":"18","volume":14},{"file":[{"date_updated":"2021-12-13T09:24:42Z","file_size":4979390,"creator":"cchlebak","date_created":"2021-12-13T09:24:42Z","file_name":"2021_JMaterChemC_Dong.pdf","content_type":"application/pdf","access_level":"open_access","relation":"main_file","checksum":"6b73c214ce54a6894a5854b4364413d7","file_id":"10538","success":1}],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["2050-7534"],"eissn":["2050-7526"]},"publication_status":"published","volume":9,"issue":"45","oa_version":"Published Version","abstract":[{"text":"For many years, fullerene derivatives have been the main n-type material of organic electronics and optoelectronics. Recently, fullerene derivatives functionalized with ethylene glycol (EG) side chains have been showing important properties such as enhanced dielectric constants, facile doping and enhanced self-assembly capabilities. Here, we have prepared field-effect transistors using a series of these fullerene derivatives equipped with EG side chains of different lengths. Transport data show the beneficial effect of increasing the EG side chain. In order to understand the material properties, full structural determination of these fullerene derivatives has been achieved by coupling the X-ray data with molecular dynamics (MD) simulations. The increase in transport properties is paired with the formation of extended layered structures, efficient molecular packing and an increase in the crystallite alignment. The layer-like structure is composed of conducting layers, containing of closely packed C60 balls approaching the inter-distance of 1 nm, that are separated by well-defined EG layers, where the EG chains are rather splayed with the chain direction almost perpendicular to the layer normal. Such a layered structure appears highly ordered and highly aligned with the C60 planes oriented parallel to the substrate in the thin film configuration. The order inside the thin film increases with the EG chain length, allowing the systems to achieve mobilities as high as 0.053 cm2 V−1 s−1. Our work elucidates the structure of these interesting semiconducting organic molecules and shows that the synergistic use of X-ray structural analysis and MD simulations is a powerful tool to identify the structure of thin organic films for optoelectronic applications.","lang":"eng"}],"month":"12","intvolume":" 9","scopus_import":"1","ddc":["540"],"date_updated":"2023-08-17T06:18:44Z","file_date_updated":"2021-12-13T09:24:42Z","department":[{"_id":"MaIb"}],"_id":"10534","status":"public","article_type":"original","type":"journal_article","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"day":"07","publication":"Journal of Materials Chemistry C","isi":1,"has_accepted_license":"1","year":"2021","doi":"10.1039/d1tc02753k","date_published":"2021-12-07T00:00:00Z","date_created":"2021-12-12T23:01:27Z","page":"16217-16225","acknowledgement":"J. D. gratefully acknowledges the China Scholarship Council (CSC No. 201606340158) for supporting his PhD studies. S. S. thanks J. Antoja-Lleonart for insightful discussions on simulating the X-ray diffraction patterns. Part of the work was sponsored by NWO Exact and Natural Sciences for the use of supercomputer facilities (Contract no. 17197 7095). Regarding S. S., R. A., R. W. A. H., J. C. H., and M. A. L., this is a publication by the FOM Focus Group “Next Generation Organic Photovoltaics”, participating in the Dutch Institute for Fundamental Energy Research (DIFFER). The ESRF is acknowledged for providing the beamtime. J. D. and G. P. are grateful to the BM26B staff for their great support during the beamtime. M. A. L., D. M. B. are grateful for the financial support of the European Research Council via a Starting Grant (HySPOD, No. 306983).","quality_controlled":"1","publisher":"Royal Society of Chemistry","oa":1,"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ama":"Dong J, Sami S, Balazs D, et al. Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties. Journal of Materials Chemistry C. 2021;9(45):16217-16225. doi:10.1039/d1tc02753k","apa":"Dong, J., Sami, S., Balazs, D., Alessandri, R., Jahani, F., Qiu, L., … Portale, G. (2021). Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties. Journal of Materials Chemistry C. Royal Society of Chemistry. https://doi.org/10.1039/d1tc02753k","ieee":"J. Dong et al., “Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties,” Journal of Materials Chemistry C, vol. 9, no. 45. Royal Society of Chemistry, pp. 16217–16225, 2021.","short":"J. Dong, S. Sami, D. Balazs, R. Alessandri, F. Jahani, L. Qiu, S.J. Marrink, R.W.A. Havenith, J.C. Hummelen, M.A. Loi, G. Portale, Journal of Materials Chemistry C 9 (2021) 16217–16225.","mla":"Dong, Jingjin, et al. “Fullerene Derivatives with Oligoethylene-Glycol Side Chains: An Investigation on the Origin of Their Outstanding Transport Properties.” Journal of Materials Chemistry C, vol. 9, no. 45, Royal Society of Chemistry, 2021, pp. 16217–25, doi:10.1039/d1tc02753k.","ista":"Dong J, Sami S, Balazs D, Alessandri R, Jahani F, Qiu L, Marrink SJ, Havenith RWA, Hummelen JC, Loi MA, Portale G. 2021. Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties. Journal of Materials Chemistry C. 9(45), 16217–16225.","chicago":"Dong, Jingjin, Selim Sami, Daniel Balazs, Riccardo Alessandri, Fatimeh Jahani, Li Qiu, Siewert J. Marrink, et al. “Fullerene Derivatives with Oligoethylene-Glycol Side Chains: An Investigation on the Origin of Their Outstanding Transport Properties.” Journal of Materials Chemistry C. Royal Society of Chemistry, 2021. https://doi.org/10.1039/d1tc02753k."},"title":"Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties","author":[{"full_name":"Dong, Jingjin","last_name":"Dong","first_name":"Jingjin"},{"first_name":"Selim","full_name":"Sami, Selim","last_name":"Sami"},{"full_name":"Balazs, Daniel","orcid":"0000-0001-7597-043X","last_name":"Balazs","first_name":"Daniel","id":"302BADF6-85FC-11EA-9E3B-B9493DDC885E"},{"first_name":"Riccardo","last_name":"Alessandri","full_name":"Alessandri, Riccardo"},{"last_name":"Jahani","full_name":"Jahani, Fatimeh","first_name":"Fatimeh"},{"first_name":"Li","last_name":"Qiu","full_name":"Qiu, Li"},{"first_name":"Siewert J.","full_name":"Marrink, Siewert J.","last_name":"Marrink"},{"first_name":"Remco W.A.","last_name":"Havenith","full_name":"Havenith, Remco W.A."},{"first_name":"Jan C.","last_name":"Hummelen","full_name":"Hummelen, Jan C."},{"full_name":"Loi, Maria A.","last_name":"Loi","first_name":"Maria A."},{"first_name":"Giuseppe","last_name":"Portale","full_name":"Portale, Giuseppe"}],"external_id":{"isi":["000688135700001"]},"article_processing_charge":"No"},{"_id":"10809","keyword":["multidisciplinary"],"status":"public","article_type":"letter_note","type":"journal_article","date_updated":"2023-08-17T07:00:35Z","department":[{"_id":"MaIb"}],"oa_version":"None","pmid":1,"abstract":[{"lang":"eng","text":"Thermoelectric materials are engines that convert heat into an electrical current. Intuitively, the efficiency of this process depends on how many electrons (charge carriers) can move and how easily they do so, how much energy those moving electrons transport, and how easily the temperature gradient is maintained. In terms of material properties, an excellent thermoelectric material requires a high electrical conductivity σ, a high Seebeck coefficient S (a measure of the induced thermoelectric voltage as a function of temperature gradient), and a low thermal conductivity κ. The challenge is that these three properties are strongly interrelated in a conflicting manner (1). On page 722 of this issue, Roychowdhury et al. (2) have found a way to partially break these ties in silver antimony telluride (AgSbTe2) with the addition of cadmium (Cd) cations, which increase the ordering in this inherently disordered thermoelectric material."}],"intvolume":" 371","month":"02","scopus_import":"1","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["1095-9203"],"issn":["0036-8075"]},"volume":371,"issue":"6530","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"mla":"Liu, Yu, and Maria Ibáñez. “Tidying up the Mess.” Science, vol. 371, no. 6530, American Association for the Advancement of Science, 2021, pp. 678–79, doi:10.1126/science.abg0886.","ieee":"Y. Liu and M. Ibáñez, “Tidying up the mess,” Science, vol. 371, no. 6530. American Association for the Advancement of Science, pp. 678–679, 2021.","short":"Y. Liu, M. Ibáñez, Science 371 (2021) 678–679.","apa":"Liu, Y., & Ibáñez, M. (2021). Tidying up the mess. Science. American Association for the Advancement of Science. https://doi.org/10.1126/science.abg0886","ama":"Liu Y, Ibáñez M. Tidying up the mess. Science. 2021;371(6530):678-679. doi:10.1126/science.abg0886","chicago":"Liu, Yu, and Maria Ibáñez. “Tidying up the Mess.” Science. American Association for the Advancement of Science, 2021. https://doi.org/10.1126/science.abg0886.","ista":"Liu Y, Ibáñez M. 2021. Tidying up the mess. Science. 371(6530), 678–679."},"title":"Tidying up the mess","external_id":{"isi":["000617551600027"],"pmid":["33574201"]},"article_processing_charge":"No","author":[{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","last_name":"Liu"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"}],"quality_controlled":"1","publisher":"American Association for the Advancement of Science","publication":"Science","day":"12","year":"2021","isi":1,"date_created":"2022-03-03T09:51:48Z","doi":"10.1126/science.abg0886","date_published":"2021-02-12T00:00:00Z","page":"678-679"},{"abstract":[{"text":"The cost-effective conversion of low-grade heat into electricity using thermoelectric devices requires developing alternative materials and material processing technologies able to reduce the currently high device manufacturing costs. In this direction, thermoelectric materials that do not rely on rare or toxic elements such as tellurium or lead need to be produced using high-throughput technologies not involving high temperatures and long processes. Bi2Se3 is an obvious possible Te-free alternative to Bi2Te3 for ambient temperature thermoelectric applications, but its performance is still low for practical applications, and additional efforts toward finding proper dopants are required. Here, we report a scalable method to produce Bi2Se3 nanosheets at low synthesis temperatures. We studied the influence of different dopants on the thermoelectric properties of this material. Among the elements tested, we demonstrated that Sn doping resulted in the best performance. Sn incorporation resulted in a significant improvement to the Bi2Se3 Seebeck coefficient and a reduction in the thermal conductivity in the direction of the hot-press axis, resulting in an overall 60% improvement in the thermoelectric figure of merit of Bi2Se3.","lang":"eng"}],"oa_version":"Published Version","scopus_import":"1","intvolume":" 11","month":"07","publication_status":"published","publication_identifier":{"issn":["2079-4991"]},"language":[{"iso":"eng"}],"file":[{"access_level":"open_access","relation":"main_file","content_type":"application/pdf","file_id":"10859","checksum":"f28a8b5cf80f5605828359bb398463b0","success":1,"creator":"dernst","date_updated":"2022-03-18T09:53:15Z","file_size":4867547,"date_created":"2022-03-18T09:53:15Z","file_name":"2021_Nanomaterials_Li.pdf"}],"ec_funded":1,"volume":11,"issue":"7","_id":"10858","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","keyword":["General Materials Science","General Chemical Engineering"],"status":"public","date_updated":"2023-08-17T07:08:30Z","ddc":["540"],"file_date_updated":"2022-03-18T09:53:15Z","department":[{"_id":"MaIb"}],"acknowledgement":"M.L., Y.Z., T.Z. and K.X. thank the China Scholarship Council for their scholarship\r\nsupport. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and\r\ninnovation program under the Marie Sklodowska-Curie grant agreement No. 754411. J.L. thanks the ICREA Academia program and projects MICINN/FEDER RTI2018-093996-B-C31 and G.C. 2017 SGR 128. ICN2 acknowledges funding from the Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO ENE2017-85087-C3.","oa":1,"quality_controlled":"1","publisher":"MDPI","year":"2021","isi":1,"has_accepted_license":"1","publication":"Nanomaterials","day":"14","date_created":"2022-03-18T09:45:02Z","doi":"10.3390/nano11071827","date_published":"2021-07-14T00:00:00Z","article_number":"1827","project":[{"_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships"}],"citation":{"mla":"Li, Mengyao, et al. “Enhanced Thermoelectric Performance of N-Type Bi2Se3 Nanosheets through Sn Doping.” Nanomaterials, vol. 11, no. 7, 1827, MDPI, 2021, doi:10.3390/nano11071827.","ama":"Li M, Zhang Y, Zhang T, et al. Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. Nanomaterials. 2021;11(7). doi:10.3390/nano11071827","apa":"Li, M., Zhang, Y., Zhang, T., Zuo, Y., Xiao, K., Arbiol, J., … Cabot, A. (2021). Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. Nanomaterials. MDPI. https://doi.org/10.3390/nano11071827","short":"M. Li, Y. Zhang, T. Zhang, Y. Zuo, K. Xiao, J. Arbiol, J. Llorca, Y. Liu, A. Cabot, Nanomaterials 11 (2021).","ieee":"M. Li et al., “Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping,” Nanomaterials, vol. 11, no. 7. MDPI, 2021.","chicago":"Li, Mengyao, Yu Zhang, Ting Zhang, Yong Zuo, Ke Xiao, Jordi Arbiol, Jordi Llorca, Yu Liu, and Andreu Cabot. “Enhanced Thermoelectric Performance of N-Type Bi2Se3 Nanosheets through Sn Doping.” Nanomaterials. MDPI, 2021. https://doi.org/10.3390/nano11071827.","ista":"Li M, Zhang Y, Zhang T, Zuo Y, Xiao K, Arbiol J, Llorca J, Liu Y, Cabot A. 2021. Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. Nanomaterials. 11(7), 1827."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","article_processing_charge":"No","external_id":{"isi":["000676570000001"]},"author":[{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"first_name":"Ting","last_name":"Zhang","full_name":"Zhang, Ting"},{"full_name":"Zuo, Yong","last_name":"Zuo","first_name":"Yong"},{"full_name":"Xiao, Ke","last_name":"Xiao","first_name":"Ke"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"title":"Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping"},{"department":[{"_id":"MaIb"}],"date_updated":"2023-09-27T07:36:29Z","status":"public","type":"journal_article","article_type":"original","_id":"9304","volume":418,"issue":"8","ec_funded":1,"language":[{"iso":"eng"}],"publication_identifier":{"issn":["1385-8947"]},"publication_status":"published","month":"08","intvolume":" 418","scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://ddd.uab.cat/record/271949"}],"oa_version":"Submitted Version","abstract":[{"lang":"eng","text":"The high processing cost, poor mechanical properties and moderate performance of Bi2Te3–based alloys used in thermoelectric devices limit the cost-effectiveness of this energy conversion technology. Towards solving these current challenges, in the present work, we detail a low temperature solution-based approach to produce Bi2Te3-Cu2-xTe nanocomposites with improved thermoelectric performance. Our approach consists in combining proper ratios of colloidal nanoparticles and to consolidate the resulting mixture into nanocomposites using a hot press. The transport properties of the nanocomposites are characterized and compared with those of pure Bi2Te3 nanomaterials obtained following the same procedure. In contrast with most previous works, the presence of Cu2-xTe nanodomains does not result in a significant reduction of the lattice thermal conductivity of the reference Bi2Te3 nanomaterial, which is already very low. However, the introduction of Cu2-xTe yields a nearly threefold increase of the power factor associated to a simultaneous increase of the Seebeck coefficient and electrical conductivity at temperatures above 400 K. Taking into account the band alignment of the two materials, we rationalize this increase by considering that Cu2-xTe nanostructures, with a relatively low electron affinity, are able to inject electrons into Bi2Te3, enhancing in this way its electrical conductivity. The simultaneous increase of the Seebeck coefficient is related to the energy filtering of charge carriers at energy barriers within Bi2Te3 domains associated with the accumulation of electrons in regions nearby a Cu2-xTe/Bi2Te3 heterojunction. Overall, with the incorporation of a proper amount of Cu2-xTe nanoparticles, we demonstrate a 250% improvement of the thermoelectric figure of merit of Bi2Te3."}],"title":"Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride","author":[{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"full_name":"Xing, Congcong","last_name":"Xing","first_name":"Congcong"},{"full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu"},{"first_name":"Mengyao","last_name":"Li","full_name":"Li, Mengyao"},{"full_name":"Xiao, Ke","last_name":"Xiao","first_name":"Ke"},{"first_name":"Pablo","full_name":"Guardia, Pablo","last_name":"Guardia"},{"first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","last_name":"Lee"},{"full_name":"Han, Xu","last_name":"Han","first_name":"Xu"},{"first_name":"Ahmad","full_name":"Moghaddam, Ahmad","last_name":"Moghaddam"},{"last_name":"Roa","full_name":"Roa, Joan J","first_name":"Joan J"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"},{"first_name":"Kai","last_name":"Pan","full_name":"Pan, Kai"},{"last_name":"Prato","full_name":"Prato, Mirko","first_name":"Mirko"},{"first_name":"Ying","last_name":"Xie","full_name":"Xie, Ying"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"external_id":{"isi":["000655672000005"]},"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"chicago":"Zhang, Yu, Congcong Xing, Yu Liu, Mengyao Li, Ke Xiao, Pablo Guardia, Seungho Lee, et al. “Influence of Copper Telluride Nanodomains on the Transport Properties of N-Type Bismuth Telluride.” Chemical Engineering Journal. Elsevier, 2021. https://doi.org/10.1016/j.cej.2021.129374.","ista":"Zhang Y, Xing C, Liu Y, Li M, Xiao K, Guardia P, Lee S, Han X, Moghaddam A, Roa JJ, Arbiol J, Ibáñez M, Pan K, Prato M, Xie Y, Cabot A. 2021. Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride. Chemical Engineering Journal. 418(8), 129374.","mla":"Zhang, Yu, et al. “Influence of Copper Telluride Nanodomains on the Transport Properties of N-Type Bismuth Telluride.” Chemical Engineering Journal, vol. 418, no. 8, 129374, Elsevier, 2021, doi:10.1016/j.cej.2021.129374.","short":"Y. Zhang, C. Xing, Y. Liu, M. Li, K. Xiao, P. Guardia, S. Lee, X. Han, A. Moghaddam, J.J. Roa, J. Arbiol, M. Ibáñez, K. Pan, M. Prato, Y. Xie, A. Cabot, Chemical Engineering Journal 418 (2021).","ieee":"Y. Zhang et al., “Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride,” Chemical Engineering Journal, vol. 418, no. 8. Elsevier, 2021.","apa":"Zhang, Y., Xing, C., Liu, Y., Li, M., Xiao, K., Guardia, P., … Cabot, A. (2021). Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride. Chemical Engineering Journal. Elsevier. https://doi.org/10.1016/j.cej.2021.129374","ama":"Zhang Y, Xing C, Liu Y, et al. Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride. Chemical Engineering Journal. 2021;418(8). doi:10.1016/j.cej.2021.129374"},"project":[{"_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}],"article_number":"129374","date_published":"2021-08-15T00:00:00Z","doi":"10.1016/j.cej.2021.129374","date_created":"2021-04-04T22:01:20Z","day":"15","publication":"Chemical Engineering Journal","isi":1,"year":"2021","quality_controlled":"1","publisher":"Elsevier","oa":1,"acknowledgement":"This work was supported by the European Regional Development Funds and by the Generalitat de Catalunya through the project 2017SGR1246. Y.Z, C.X, M.L, K.X and X.H thank the China Scholarship Council for the scholarship support. MI acknowledges financial support from IST Austria. YL acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. ICN2\r\nacknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project ENE2017-85087-C3. ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (grant no. SEV-2017-0706) and is funded by the CERCA Program/Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program."},{"_id":"9305","status":"public","article_type":"original","type":"journal_article","date_updated":"2023-09-27T07:41:00Z","department":[{"_id":"MaIb"}],"oa_version":"Submitted Version","abstract":[{"text":"Copper chalcogenides are outstanding thermoelectric materials for applications in the medium-high temperature range. Among different chalcogenides, while Cu2−xSe is characterized by higher thermoelectric figures of merit, Cu2−xS provides advantages in terms of low cost and element abundance. In the present work, we investigate the effect of different dopants to enhance the Cu2−xS performance and also its thermal stability. Among the tested options, Pb-doped Cu2−xS shows the highest improvement in stability against sulfur volatilization. Additionally, Pb incorporation allows tuning charge carrier concentration, which enables a significant improvement of the power factor. We demonstrate here that the introduction of an optimal additive amount of just 0.3% results in a threefold increase of the power factor in the middle-temperature range (500–800 K) and a record dimensionless thermoelectric figure of merit above 2 at 880 K.","lang":"eng"}],"month":"07","intvolume":" 85","scopus_import":"1","main_file_link":[{"url":"https://ddd.uab.cat/record/271947","open_access":"1"}],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["2211-2855"]},"publication_status":"published","issue":"7","volume":85,"ec_funded":1,"article_number":"105991","project":[{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"ama":"Zhang Y, Xing C, Liu Y, et al. Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS. Nano Energy. 2021;85(7). doi:10.1016/j.nanoen.2021.105991","apa":"Zhang, Y., Xing, C., Liu, Y., Spadaro, M. C., Wang, X., Li, M., … Cabot, A. (2021). Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS. Nano Energy. Elsevier. https://doi.org/10.1016/j.nanoen.2021.105991","ieee":"Y. Zhang et al., “Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS,” Nano Energy, vol. 85, no. 7. Elsevier, 2021.","short":"Y. Zhang, C. Xing, Y. Liu, M.C. Spadaro, X. Wang, M. Li, K. Xiao, T. Zhang, P. Guardia, K.H. Lim, A.O. Moghaddam, J. Llorca, J. Arbiol, M. Ibáñez, A. Cabot, Nano Energy 85 (2021).","mla":"Zhang, Yu, et al. “Doping-Mediated Stabilization of Copper Vacancies to Promote Thermoelectric Properties of Cu2-XS.” Nano Energy, vol. 85, no. 7, 105991, Elsevier, 2021, doi:10.1016/j.nanoen.2021.105991.","ista":"Zhang Y, Xing C, Liu Y, Spadaro MC, Wang X, Li M, Xiao K, Zhang T, Guardia P, Lim KH, Moghaddam AO, Llorca J, Arbiol J, Ibáñez M, Cabot A. 2021. Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS. Nano Energy. 85(7), 105991.","chicago":"Zhang, Yu, Congcong Xing, Yu Liu, Maria Chiara Spadaro, Xiang Wang, Mengyao Li, Ke Xiao, et al. “Doping-Mediated Stabilization of Copper Vacancies to Promote Thermoelectric Properties of Cu2-XS.” Nano Energy. Elsevier, 2021. https://doi.org/10.1016/j.nanoen.2021.105991."},"title":"Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS","author":[{"first_name":"Yu","full_name":"Zhang, Yu","last_name":"Zhang"},{"first_name":"Congcong","last_name":"Xing","full_name":"Xing, Congcong"},{"last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Maria Chiara","full_name":"Spadaro, Maria Chiara","last_name":"Spadaro"},{"first_name":"Xiang","full_name":"Wang, Xiang","last_name":"Wang"},{"full_name":"Li, Mengyao","last_name":"Li","first_name":"Mengyao"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"full_name":"Zhang, Ting","last_name":"Zhang","first_name":"Ting"},{"first_name":"Pablo","full_name":"Guardia, Pablo","last_name":"Guardia"},{"first_name":"Khak Ho","last_name":"Lim","full_name":"Lim, Khak Ho"},{"full_name":"Moghaddam, Ahmad Ostovari","last_name":"Moghaddam","first_name":"Ahmad Ostovari"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"first_name":"Jordi","last_name":"Arbiol","full_name":"Arbiol, Jordi"},{"last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"article_processing_charge":"No","external_id":{"isi":["000663442200004"]},"acknowledgement":"This work was supported by the European Regional Development Fund and by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP (ENE2016-77798-C4-3-R). MI acknowledges financial support from IST Austria. YL acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. YZ, CX, XW, KX and TZ thank the China Scholarship Council for the scholarship support. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project ENE2017-85087-C3. ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (grant no. SEV-2017-0706) and is funded by the CERCA program/Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science Ph.D. program. M.C.S. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754510 (PROBIST) and the Severo Ochoa programme. P.G. acknowledges financial support from the Spanish government (MICIU) through the RTI2018-102006-J-I00 project and the Catalan Agency of Competitiveness (ACCIO) through the TecnioSpring+ Marie Sklodowska-Curie action TECSPR16-1-0082. YZ and CX contributed equally to this work.","quality_controlled":"1","publisher":"Elsevier","oa":1,"day":"01","publication":"Nano Energy","isi":1,"year":"2021","date_published":"2021-07-01T00:00:00Z","doi":"10.1016/j.nanoen.2021.105991","date_created":"2021-04-04T22:01:21Z"},{"year":"2021","isi":1,"publication":"ACS Applied Materials and Interfaces","day":"19","page":"51373–51382","date_created":"2021-11-21T23:01:30Z","date_published":"2021-10-19T00:00:00Z","doi":"10.1021/acsami.1c15609","acknowledgement":"This work was supported by the European Regional Development Funds. M.L., Y.Z., X.H., and K.X. thank the China Scholarship Council for scholarship support. M. I. has been financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. J.L. is a Serra Húnter fellow and is grateful to ICREA Academia program and projects MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). ICN2 was supported by the Severo Ochoa program from Spanish MINECO (grant no. SEV-2017-0706) and was funded by the CERCA Programme/Generalitat de Catalunya. X.H. thanks China Scholarship Council for scholarship support (201804910551). Part of the present work was performed in the framework of Universitat Autònoma de Barcelona Materials Science Ph.D. program.","oa":1,"quality_controlled":"1","publisher":"American Chemical Society ","citation":{"chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Xu Han, Ke Xiao, Mehran Nabahat, Jordi Arbiol, Jordi Llorca, Maria Ibáñez, and Andreu Cabot. “PbS–Pb–CuxS Composites for Thermoelectric Application.” ACS Applied Materials and Interfaces. American Chemical Society , 2021. https://doi.org/10.1021/acsami.1c15609.","ista":"Li M, Liu Y, Zhang Y, Han X, Xiao K, Nabahat M, Arbiol J, Llorca J, Ibáñez M, Cabot A. 2021. PbS–Pb–CuxS composites for thermoelectric application. ACS Applied Materials and Interfaces. 13(43), 51373–51382.","mla":"Li, Mengyao, et al. “PbS–Pb–CuxS Composites for Thermoelectric Application.” ACS Applied Materials and Interfaces, vol. 13, no. 43, American Chemical Society , 2021, pp. 51373–51382, doi:10.1021/acsami.1c15609.","ama":"Li M, Liu Y, Zhang Y, et al. PbS–Pb–CuxS composites for thermoelectric application. ACS Applied Materials and Interfaces. 2021;13(43):51373–51382. doi:10.1021/acsami.1c15609","apa":"Li, M., Liu, Y., Zhang, Y., Han, X., Xiao, K., Nabahat, M., … Cabot, A. (2021). PbS–Pb–CuxS composites for thermoelectric application. ACS Applied Materials and Interfaces. American Chemical Society . https://doi.org/10.1021/acsami.1c15609","ieee":"M. Li et al., “PbS–Pb–CuxS composites for thermoelectric application,” ACS Applied Materials and Interfaces, vol. 13, no. 43. American Chemical Society , pp. 51373–51382, 2021.","short":"M. Li, Y. Liu, Y. Zhang, X. Han, K. Xiao, M. Nabahat, J. Arbiol, J. Llorca, M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 13 (2021) 51373–51382."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"pmid":["34665616"],"isi":["000715852100070"]},"article_processing_charge":"No","author":[{"full_name":"Li, Mengyao","last_name":"Li","first_name":"Mengyao"},{"full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"last_name":"Han","full_name":"Han, Xu","first_name":"Xu"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"first_name":"Mehran","full_name":"Nabahat, Mehran","last_name":"Nabahat"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"title":"PbS–Pb–CuxS composites for thermoelectric application","project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"publication_status":"published","publication_identifier":{"eissn":["1944-8252"],"issn":["1944-8244"]},"language":[{"iso":"eng"}],"ec_funded":1,"volume":13,"issue":"43","abstract":[{"lang":"eng","text":"Composite materials offer numerous advantages in a wide range of applications, including thermoelectrics. Here, semiconductor–metal composites are produced by just blending nanoparticles of a sulfide semiconductor obtained in aqueous solution and at room temperature with a metallic Cu powder. The obtained blend is annealed in a reducing atmosphere and afterward consolidated into dense polycrystalline pellets through spark plasma sintering (SPS). We observe that, during the annealing process, the presence of metallic copper activates a partial reduction of the PbS, resulting in the formation of PbS–Pb–CuxS composites. The presence of metallic lead during the SPS process habilitates the liquid-phase sintering of the composite. Besides, by comparing the transport properties of PbS, the PbS–Pb–CuxS composites, and PbS–CuxS composites obtained by blending PbS and CuxS nanoparticles, we demonstrate that the presence of metallic lead decisively contributes to a strong increase of the charge carrier concentration through spillover of charge carriers enabled by the low work function of lead. The increase in charge carrier concentration translates into much higher electrical conductivities and moderately lower Seebeck coefficients. These properties translate into power factors up to 2.1 mW m–1 K–2 at ambient temperature, well above those of PbS and PbS + CuxS. Additionally, the presence of multiple phases in the final composite results in a notable decrease in the lattice thermal conductivity. Overall, the introduction of metallic copper in the initial blend results in a significant improvement of the thermoelectric performance of PbS, reaching a dimensionless thermoelectric figure of merit ZT = 1.1 at 750 K, which represents about a 400% increase over bare PbS. Besides, an average ZTave = 0.72 in the temperature range 320–773 K is demonstrated."}],"oa_version":"Submitted Version","pmid":1,"main_file_link":[{"url":"https://upcommons.upc.edu/bitstream/2117/363528/1/Pb%20mengyao.pdf","open_access":"1"}],"scopus_import":"1","intvolume":" 13","month":"10","date_updated":"2023-10-03T09:55:33Z","department":[{"_id":"MaIb"}],"_id":"10327","article_type":"original","type":"journal_article","keyword":["CuxS","PbS","energy conversion","nanocomposite","nanoparticle","solution synthesis","thermoelectric"],"status":"public"},{"issue":"3","volume":15,"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"publication_status":"published","month":"03","intvolume":" 15","scopus_import":"1","main_file_link":[{"url":"https://upcommons.upc.edu/bitstream/handle/2117/363528/Pb%20mengyao.pdf?sequence=1&isAllowed=y","open_access":"1"}],"pmid":1,"oa_version":"Submitted Version","abstract":[{"text":"Cu2–xS has become one of the most promising thermoelectric materials for application in the middle-high temperature range. Its advantages include the abundance, low cost, and safety of its elements and a high performance at relatively elevated temperatures. However, stability issues limit its operation current and temperature, thus calling for the optimization of the material performance in the middle temperature range. Here, we present a synthetic protocol for large scale production of covellite CuS nanoparticles at ambient temperature and atmosphere, and using water as a solvent. The crystal phase and stoichiometry of the particles are afterward tuned through an annealing process at a moderate temperature under inert or reducing atmosphere. While annealing under argon results in Cu1.8S nanopowder with a rhombohedral crystal phase, annealing in an atmosphere containing hydrogen leads to tetragonal Cu1.96S. High temperature X-ray diffraction analysis shows the material annealed in argon to transform to the cubic phase at ca. 400 K, while the material annealed in the presence of hydrogen undergoes two phase transitions, first to hexagonal and then to the cubic structure. The annealing atmosphere, temperature, and time allow adjustment of the density of copper vacancies and thus tuning of the charge carrier concentration and material transport properties. In this direction, the material annealed under Ar is characterized by higher electrical conductivities but lower Seebeck coefficients than the material annealed in the presence of hydrogen. By optimizing the charge carrier concentration through the annealing time, Cu2–xS with record figures of merit in the middle temperature range, up to 1.41 at 710 K, is obtained. We finally demonstrate that this strategy, based on a low-cost and scalable solution synthesis process, is also suitable for the production of high performance Cu2–xS layers using high throughput and cost-effective printing technologies.","lang":"eng"}],"department":[{"_id":"MaIb"}],"date_updated":"2023-10-03T09:59:55Z","status":"public","keyword":["General Engineering","General Physics and Astronomy","General Materials Science"],"article_type":"original","type":"journal_article","_id":"9235","doi":"10.1021/acsnano.0c09866","date_published":"2021-03-01T00:00:00Z","date_created":"2021-03-10T20:12:45Z","page":"4967–4978","day":"01","publication":"ACS Nano","isi":1,"year":"2021","publisher":"American Chemical Society ","quality_controlled":"1","oa":1,"acknowledgement":"This work was supported by the European Regional Development Funds. M.Y.L., X.H., T.Z., and K.X. thank the China Scholarship Council for scholarship support. M.I. acknowledges financial support from IST Austria. J.L. acknowledges support from the National Natural Science Foundation of China (No. 22008091), the funding for scientific research startup of Jiangsu University (No. 19JDG044), and Jiangsu Provincial Program for High-Level Innovative and Entrepreneurial Talents Introduction. J.L. is a Serra Húnter fellow and is grateful to the ICREA Academia program and projects MICINN/FEDER RTI2018-093996-B-C31 and GC 2017 SGR 128. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO ENE2017-85087-C3. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program. T.Z. has received funding from the CSC-UAB PhD scholarship program.","title":"Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide","author":[{"first_name":"Mengyao","full_name":"Li, Mengyao","last_name":"Li"},{"last_name":"Liu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"first_name":"Xu","last_name":"Han","full_name":"Han, Xu"},{"first_name":"Ting","full_name":"Zhang, Ting","last_name":"Zhang"},{"last_name":"Zuo","full_name":"Zuo, Yong","first_name":"Yong"},{"first_name":"Chenyang","last_name":"Xie","full_name":"Xie, Chenyang"},{"last_name":"Xiao","full_name":"Xiao, Ke","first_name":"Ke"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"full_name":"Liu, Junfeng","last_name":"Liu","first_name":"Junfeng"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"external_id":{"isi":["000634569100106"],"pmid":["33645986"]},"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Xu Han, Ting Zhang, Yong Zuo, Chenyang Xie, et al. “Effect of the Annealing Atmosphere on Crystal Phase and Thermoelectric Properties of Copper Sulfide.” ACS Nano. American Chemical Society , 2021. https://doi.org/10.1021/acsnano.0c09866.","ista":"Li M, Liu Y, Zhang Y, Han X, Zhang T, Zuo Y, Xie C, Xiao K, Arbiol J, Llorca J, Ibáñez M, Liu J, Cabot A. 2021. Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide. ACS Nano. 15(3), 4967–4978.","mla":"Li, Mengyao, et al. “Effect of the Annealing Atmosphere on Crystal Phase and Thermoelectric Properties of Copper Sulfide.” ACS Nano, vol. 15, no. 3, American Chemical Society , 2021, pp. 4967–4978, doi:10.1021/acsnano.0c09866.","short":"M. Li, Y. Liu, Y. Zhang, X. Han, T. Zhang, Y. Zuo, C. Xie, K. Xiao, J. Arbiol, J. Llorca, M. Ibáñez, J. Liu, A. Cabot, ACS Nano 15 (2021) 4967–4978.","ieee":"M. Li et al., “Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide,” ACS Nano, vol. 15, no. 3. American Chemical Society , pp. 4967–4978, 2021.","ama":"Li M, Liu Y, Zhang Y, et al. Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide. ACS Nano. 2021;15(3):4967–4978. doi:10.1021/acsnano.0c09866","apa":"Li, M., Liu, Y., Zhang, Y., Han, X., Zhang, T., Zuo, Y., … Cabot, A. (2021). Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide. ACS Nano. American Chemical Society . https://doi.org/10.1021/acsnano.0c09866"}},{"publication":"Acta Physico-Chimica Sinica","day":"13","year":"2021","date_created":"2024-01-14T23:00:58Z","doi":"10.3866/PKU.WHXB202108017","date_published":"2021-10-13T00:00:00Z","oa":1,"quality_controlled":"1","publisher":"Peking University","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"mla":"Chang, Cheng, et al. “Recent Progress on Two-Dimensional Materials.” Acta Physico-Chimica Sinica, vol. 37, no. 12, 2108017, Peking University, 2021, doi:10.3866/PKU.WHXB202108017.","apa":"Chang, C., Chen, W., Chen, Y., Chen, Y., Chen, Y., Ding, F., … Liu, Z. (2021). Recent progress on two-dimensional materials. Acta Physico-Chimica Sinica. Peking University. https://doi.org/10.3866/PKU.WHXB202108017","ama":"Chang C, Chen W, Chen Y, et al. Recent progress on two-dimensional materials. Acta Physico-Chimica Sinica. 2021;37(12). doi:10.3866/PKU.WHXB202108017","ieee":"C. Chang et al., “Recent progress on two-dimensional materials,” Acta Physico-Chimica Sinica, vol. 37, no. 12. Peking University, 2021.","short":"C. Chang, W. Chen, Y. Chen, Y. Chen, Y. Chen, F. Ding, C. Fan, H.J. Fan, Z. Fan, C. Gong, Y. Gong, Q. He, X. Hong, S. Hu, W. Hu, W. Huang, Y. Huang, W. Ji, D. Li, L.J. Li, Q. Li, L. Lin, C. Ling, M. Liu, N. Liu, Z. Liu, K.P. Loh, J. Ma, F. Miao, H. Peng, M. Shao, L. Song, S. Su, S. Sun, C. Tan, Z. Tang, D. Wang, H. Wang, J. Wang, X. Wang, X. Wang, A.T.S. Wee, Z. Wei, Y. Wu, Z.S. Wu, J. Xiong, Q. Xiong, W. Xu, P. Yin, H. Zeng, Z. Zeng, T. Zhai, H. Zhang, H. Zhang, Q. Zhang, T. Zhang, X. Zhang, L.D. Zhao, M. Zhao, W. Zhao, Y. Zhao, K.G. Zhou, X. Zhou, Y. Zhou, H. Zhu, H. Zhang, Z. Liu, Acta Physico-Chimica Sinica 37 (2021).","chicago":"Chang, Cheng, Wei Chen, Ye Chen, Yonghua Chen, Yu Chen, Feng Ding, Chunhai Fan, et al. “Recent Progress on Two-Dimensional Materials.” Acta Physico-Chimica Sinica. Peking University, 2021. https://doi.org/10.3866/PKU.WHXB202108017.","ista":"Chang C, Chen W, Chen Y, Chen Y, Chen Y, Ding F, Fan C, Fan HJ, Fan Z, Gong C, Gong Y, He Q, Hong X, Hu S, Hu W, Huang W, Huang Y, Ji W, Li D, Li LJ, Li Q, Lin L, Ling C, Liu M, Liu N, Liu Z, Loh KP, Ma J, Miao F, Peng H, Shao M, Song L, Su S, Sun S, Tan C, Tang Z, Wang D, Wang H, Wang J, Wang X, Wang X, Wee ATS, Wei Z, Wu Y, Wu ZS, Xiong J, Xiong Q, Xu W, Yin P, Zeng H, Zeng Z, Zhai T, Zhang H, Zhang H, Zhang Q, Zhang T, Zhang X, Zhao LD, Zhao M, Zhao W, Zhao Y, Zhou KG, Zhou X, Zhou Y, Zhu H, Zhang H, Liu Z. 2021. Recent progress on two-dimensional materials. Acta Physico-Chimica Sinica. 37(12), 2108017."},"title":"Recent progress on two-dimensional materials","article_processing_charge":"No","author":[{"full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"first_name":"Wei","last_name":"Chen","full_name":"Chen, Wei"},{"first_name":"Ye","last_name":"Chen","full_name":"Chen, Ye"},{"first_name":"Yonghua","full_name":"Chen, Yonghua","last_name":"Chen"},{"first_name":"Yu","last_name":"Chen","full_name":"Chen, Yu"},{"last_name":"Ding","full_name":"Ding, Feng","first_name":"Feng"},{"full_name":"Fan, Chunhai","last_name":"Fan","first_name":"Chunhai"},{"last_name":"Fan","full_name":"Fan, Hong Jin","first_name":"Hong Jin"},{"last_name":"Fan","full_name":"Fan, Zhanxi","first_name":"Zhanxi"},{"first_name":"Cheng","full_name":"Gong, Cheng","last_name":"Gong"},{"first_name":"Yongji","full_name":"Gong, Yongji","last_name":"Gong"},{"full_name":"He, Qiyuan","last_name":"He","first_name":"Qiyuan"},{"full_name":"Hong, Xun","last_name":"Hong","first_name":"Xun"},{"last_name":"Hu","full_name":"Hu, Sheng","first_name":"Sheng"},{"full_name":"Hu, Weida","last_name":"Hu","first_name":"Weida"},{"last_name":"Huang","full_name":"Huang, Wei","first_name":"Wei"},{"first_name":"Yuan","full_name":"Huang, Yuan","last_name":"Huang"},{"full_name":"Ji, Wei","last_name":"Ji","first_name":"Wei"},{"first_name":"Dehui","last_name":"Li","full_name":"Li, Dehui"},{"first_name":"Lain Jong","last_name":"Li","full_name":"Li, Lain Jong"},{"last_name":"Li","full_name":"Li, Qiang","first_name":"Qiang"},{"full_name":"Lin, Li","last_name":"Lin","first_name":"Li"},{"first_name":"Chongyi","last_name":"Ling","full_name":"Ling, Chongyi"},{"full_name":"Liu, Minghua","last_name":"Liu","first_name":"Minghua"},{"first_name":"Nan","last_name":"Liu","full_name":"Liu, Nan"},{"first_name":"Zhuang","full_name":"Liu, Zhuang","last_name":"Liu"},{"last_name":"Loh","full_name":"Loh, Kian Ping","first_name":"Kian Ping"},{"first_name":"Jianmin","full_name":"Ma, Jianmin","last_name":"Ma"},{"first_name":"Feng","full_name":"Miao, Feng","last_name":"Miao"},{"full_name":"Peng, Hailin","last_name":"Peng","first_name":"Hailin"},{"full_name":"Shao, Mingfei","last_name":"Shao","first_name":"Mingfei"},{"last_name":"Song","full_name":"Song, Li","first_name":"Li"},{"first_name":"Shao","full_name":"Su, Shao","last_name":"Su"},{"last_name":"Sun","full_name":"Sun, Shuo","first_name":"Shuo"},{"first_name":"Chaoliang","full_name":"Tan, Chaoliang","last_name":"Tan"},{"first_name":"Zhiyong","last_name":"Tang","full_name":"Tang, Zhiyong"},{"first_name":"Dingsheng","last_name":"Wang","full_name":"Wang, Dingsheng"},{"first_name":"Huan","full_name":"Wang, Huan","last_name":"Wang"},{"first_name":"Jinlan","full_name":"Wang, Jinlan","last_name":"Wang"},{"full_name":"Wang, Xin","last_name":"Wang","first_name":"Xin"},{"full_name":"Wang, Xinran","last_name":"Wang","first_name":"Xinran"},{"first_name":"Andrew T.S.","last_name":"Wee","full_name":"Wee, Andrew T.S."},{"first_name":"Zhongming","full_name":"Wei, Zhongming","last_name":"Wei"},{"full_name":"Wu, Yuen","last_name":"Wu","first_name":"Yuen"},{"first_name":"Zhong Shuai","full_name":"Wu, Zhong Shuai","last_name":"Wu"},{"first_name":"Jie","full_name":"Xiong, Jie","last_name":"Xiong"},{"last_name":"Xiong","full_name":"Xiong, Qihua","first_name":"Qihua"},{"full_name":"Xu, Weigao","last_name":"Xu","first_name":"Weigao"},{"last_name":"Yin","full_name":"Yin, Peng","first_name":"Peng"},{"last_name":"Zeng","full_name":"Zeng, Haibo","first_name":"Haibo"},{"full_name":"Zeng, Zhiyuan","last_name":"Zeng","first_name":"Zhiyuan"},{"full_name":"Zhai, Tianyou","last_name":"Zhai","first_name":"Tianyou"},{"first_name":"Han","last_name":"Zhang","full_name":"Zhang, Han"},{"full_name":"Zhang, Hui","last_name":"Zhang","first_name":"Hui"},{"full_name":"Zhang, Qichun","last_name":"Zhang","first_name":"Qichun"},{"first_name":"Tierui","full_name":"Zhang, Tierui","last_name":"Zhang"},{"first_name":"Xiang","last_name":"Zhang","full_name":"Zhang, Xiang"},{"last_name":"Zhao","full_name":"Zhao, Li Dong","first_name":"Li Dong"},{"full_name":"Zhao, Meiting","last_name":"Zhao","first_name":"Meiting"},{"full_name":"Zhao, Weijie","last_name":"Zhao","first_name":"Weijie"},{"first_name":"Yunxuan","last_name":"Zhao","full_name":"Zhao, Yunxuan"},{"first_name":"Kai Ge","last_name":"Zhou","full_name":"Zhou, Kai Ge"},{"first_name":"Xing","full_name":"Zhou, Xing","last_name":"Zhou"},{"last_name":"Zhou","full_name":"Zhou, Yu","first_name":"Yu"},{"first_name":"Hongwei","full_name":"Zhu, Hongwei","last_name":"Zhu"},{"full_name":"Zhang, Hua","last_name":"Zhang","first_name":"Hua"},{"full_name":"Liu, Zhongfan","last_name":"Liu","first_name":"Zhongfan"}],"article_number":"2108017","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"issn":["1001-4861"]},"volume":37,"issue":"12","oa_version":"Submitted Version","abstract":[{"lang":"eng","text":"Research on two-dimensional (2D) materials has been explosively increasing in last seventeen years in varying subjects including condensed matter physics, electronic engineering, materials science, and chemistry since the mechanical exfoliation of graphene in 2004. Starting from graphene, 2D materials now have become a big family with numerous members and diverse categories. The unique structural features and physicochemical properties of 2D materials make them one class of the most appealing candidates for a wide range of potential applications. In particular, we have seen some major breakthroughs made in the field of 2D materials in last five years not only in developing novel synthetic methods and exploring new structures/properties but also in identifying innovative applications and pushing forward commercialisation. In this review, we provide a critical summary on the recent progress made in the field of 2D materials with a particular focus on last five years. After a brief background introduction, we first discuss the major synthetic methods for 2D materials, including the mechanical exfoliation, liquid exfoliation, vapor phase deposition, and wet-chemical synthesis as well as phase engineering of 2D materials belonging to the field of phase engineering of nanomaterials (PEN). We then introduce the superconducting/optical/magnetic properties and chirality of 2D materials along with newly emerging magic angle 2D superlattices. Following that, the promising applications of 2D materials in electronics, optoelectronics, catalysis, energy storage, solar cells, biomedicine, sensors, environments, etc. are described sequentially. Thereafter, we present the theoretic calculations and simulations of 2D materials. Finally, after concluding the current progress, we provide some personal discussions on the existing challenges and future outlooks in this rapidly developing field. "}],"intvolume":" 37","month":"10","main_file_link":[{"url":"https://doi.org/10.3866/PKU.WHXB202108017","open_access":"1"}],"scopus_import":"1","date_updated":"2024-01-17T11:29:33Z","department":[{"_id":"MaIb"}],"_id":"14800","status":"public","article_type":"review","type":"journal_article"},{"project":[{"name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"citation":{"apa":"Cadavid, D., Ortega, S., Illera, S., Liu, Y., Ibáñez, M., Shavel, A., … Cabot, A. (2020). Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.9b02137","ama":"Cadavid D, Ortega S, Illera S, et al. Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials. ACS Applied Energy Materials. 2020;3(3):2120-2129. doi:10.1021/acsaem.9b02137","short":"D. Cadavid, S. Ortega, S. Illera, Y. Liu, M. Ibáñez, A. Shavel, Y. Zhang, M. Li, A.M. López, G. Noriega, O.J. Durá, M.A. López De La Torre, J.D. Prades, A. Cabot, ACS Applied Energy Materials 3 (2020) 2120–2129.","ieee":"D. Cadavid et al., “Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials,” ACS Applied Energy Materials, vol. 3, no. 3. American Chemical Society, pp. 2120–2129, 2020.","mla":"Cadavid, Doris, et al. “Influence of the Ligand Stripping on the Transport Properties of Nanoparticle-Based PbSe Nanomaterials.” ACS Applied Energy Materials, vol. 3, no. 3, American Chemical Society, 2020, pp. 2120–29, doi:10.1021/acsaem.9b02137.","ista":"Cadavid D, Ortega S, Illera S, Liu Y, Ibáñez M, Shavel A, Zhang Y, Li M, López AM, Noriega G, Durá OJ, López De La Torre MA, Prades JD, Cabot A. 2020. Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials. ACS Applied Energy Materials. 3(3), 2120–2129.","chicago":"Cadavid, Doris, Silvia Ortega, Sergio Illera, Yu Liu, Maria Ibáñez, Alexey Shavel, Yu Zhang, et al. “Influence of the Ligand Stripping on the Transport Properties of Nanoparticle-Based PbSe Nanomaterials.” ACS Applied Energy Materials. American Chemical Society, 2020. https://doi.org/10.1021/acsaem.9b02137."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","author":[{"first_name":"Doris","full_name":"Cadavid, Doris","last_name":"Cadavid"},{"full_name":"Ortega, Silvia","last_name":"Ortega","first_name":"Silvia"},{"last_name":"Illera","full_name":"Illera, Sergio","first_name":"Sergio"},{"last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843"},{"last_name":"Shavel","full_name":"Shavel, Alexey","first_name":"Alexey"},{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"last_name":"López","full_name":"López, Antonio M.","first_name":"Antonio M."},{"last_name":"Noriega","full_name":"Noriega, Germán","first_name":"Germán"},{"full_name":"Durá, Oscar Juan","last_name":"Durá","first_name":"Oscar Juan"},{"first_name":"M. A.","last_name":"López De La Torre","full_name":"López De La Torre, M. A."},{"first_name":"Joan Daniel","last_name":"Prades","full_name":"Prades, Joan Daniel"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"article_processing_charge":"No","external_id":{"isi":["000526598300012"]},"title":"Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials","acknowledgement":"This work was supported by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP (ENE2016-77798-C4-3-R) and the Generalitat de Catalunya through the project 2017SGR1246. D.C. acknowledges support from Universidad Nacional de Colombia. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement no. 754411. M.I. acknowledges financial support from IST Austria.","publisher":"American Chemical Society","quality_controlled":"1","oa":1,"isi":1,"has_accepted_license":"1","year":"2020","day":"01","publication":"ACS Applied Energy Materials","page":"2120-2129","doi":"10.1021/acsaem.9b02137","date_published":"2020-03-01T00:00:00Z","date_created":"2020-02-09T23:00:52Z","_id":"7467","type":"journal_article","article_type":"original","status":"public","date_updated":"2023-08-17T14:36:16Z","ddc":["540"],"file_date_updated":"2022-08-23T08:34:17Z","department":[{"_id":"MaIb"}],"abstract":[{"lang":"eng","text":"Nanomaterials produced from the bottom-up assembly of nanocrystals may incorporate ∼1020–1021 cm–3 not fully coordinated surface atoms, i.e., ∼1020–1021 cm–3 potential donor or acceptor states that can strongly affect transport properties. Therefore, to exploit the full potential of nanocrystal building blocks to produce functional nanomaterials and thin films, a proper control of their surface chemistry is required. Here, we analyze how the ligand stripping procedure influences the charge and heat transport properties of sintered PbSe nanomaterials produced from the bottom-up assembly of colloidal PbSe nanocrystals. First, we show that the removal of the native organic ligands by thermal decomposition in an inert atmosphere leaves relatively large amounts of carbon at the crystal interfaces. This carbon blocks crystal growth during consolidation and at the same time hampers charge and heat transport through the final nanomaterial. Second, we demonstrate that, by stripping ligands from the nanocrystal surface before consolidation, nanomaterials with larger crystal domains, lower porosity, and higher charge carrier concentrations are obtained, thus resulting in nanomaterials with higher electrical and thermal conductivities. In addition, the ligand displacement leaves the nanocrystal surface unprotected, facilitating oxidation and chalcogen evaporation. The influence of the ligand displacement on the nanomaterial charge transport properties is rationalized here using a two-band model based on the standard Boltzmann transport equation with the relaxation time approximation. Finally, we present an application of the produced functional nanomaterials by modeling, fabricating, and testing a simple PbSe-based thermoelectric device with a ring geometry."}],"oa_version":"Submitted Version","scopus_import":"1","month":"03","intvolume":" 3","publication_identifier":{"eissn":["2574-0962"]},"publication_status":"published","file":[{"file_name":"2020_ACSAppliedEnergyMat_Cadavid.pdf","date_created":"2022-08-23T08:34:17Z","file_size":6423548,"date_updated":"2022-08-23T08:34:17Z","creator":"dernst","success":1,"checksum":"f23be731a766a480c77c962c1380315c","file_id":"11942","content_type":"application/pdf","relation":"main_file","access_level":"open_access"}],"language":[{"iso":"eng"}],"issue":"3","volume":3,"ec_funded":1},{"intvolume":" 14","month":"03","scopus_import":"1","oa_version":"None","pmid":1,"abstract":[{"lang":"eng","text":"Assemblies of colloidal semiconductor nanocrystals (NCs) in the form of thin solid films leverage the size-dependent quantum confinement properties and the wet chemical methods vital for the development of the emerging solution-processable electronics, photonics, and optoelectronics technologies. The ability to control the charge carrier transport in the colloidal NC assemblies is fundamental for altering their electronic and optical properties for the desired applications. Here we demonstrate a strategy to render the solids of narrow-bandgap NC assemblies exclusively electron-transporting by creating a type-II heterojunction via shelling. Electronic transport of molecularly cross-linked PbTe@PbS core@shell NC assemblies is measured using both a conventional solid gate transistor and an electric-double-layer transistor, as well as compared with those of core-only PbTe NCs. In contrast to the ambipolar characteristics demonstrated by many narrow-bandgap NCs, the core@shell NCs exhibit exclusive n-type transport, i.e., drastically suppressed contribution of holes to the overall transport. The PbS shell that forms a type-II heterojunction assists the selective carrier transport by heavy doping of electrons into the PbTe-core conduction level and simultaneously strongly localizes the holes within the NC core valence level. This strongly enhanced n-type transport makes these core@shell NCs suitable for applications where ambipolar characteristics should be actively suppressed, in particular, for thermoelectric and electron-transporting layers in photovoltaic devices."}],"volume":14,"issue":"3","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["1936-086X"]},"status":"public","article_type":"original","type":"journal_article","_id":"7634","department":[{"_id":"MaIb"}],"date_updated":"2023-08-18T10:25:40Z","quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"This work is partly supported by Grants-in-Aid for Scientific Research by Young Scientist A (KAKENHI Wakate-A) No. JP17H04802, Grants-in-Aid for Scientific Research No. JP19H05602 from the Japan Society for the Promotion of Science, and RIKEN Incentive Research Grant (Shoreikadai) 2016. M.V.K. and M.I. acknowledge financial support from the European Union (EU) via FP7 ERC Starting Grant 2012 (Project NANOSOLID, GA No. 306733) and ETH Zurich via ETH career seed grant (SEED-18 16-2). Support from Cambridge Display Technology, Ltd., and Sumitomo Chemical Company is also acknowledged. We thank Mrs. T. Kikitsu and Dr. D. Hashizume (RIKEN-CEMS) for access to the transmission electron microscope facility.","date_created":"2020-04-05T22:00:48Z","date_published":"2020-03-24T00:00:00Z","doi":"10.1021/acsnano.9b08687","page":"3242-3250","publication":"ACS Nano","day":"24","year":"2020","isi":1,"title":"Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies","article_processing_charge":"No","external_id":{"pmid":["32073817"],"isi":["000526301400057"]},"author":[{"first_name":"Retno","full_name":"Miranti, Retno","last_name":"Miranti"},{"last_name":"Shin","full_name":"Shin, Daiki","first_name":"Daiki"},{"full_name":"Septianto, Ricky Dwi","last_name":"Septianto","first_name":"Ricky Dwi"},{"last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"last_name":"Kovalenko","full_name":"Kovalenko, Maksym V.","first_name":"Maksym V."},{"full_name":"Matsushita, Nobuhiro","last_name":"Matsushita","first_name":"Nobuhiro"},{"last_name":"Iwasa","full_name":"Iwasa, Yoshihiro","first_name":"Yoshihiro"},{"first_name":"Satria Zulkarnaen","last_name":"Bisri","full_name":"Bisri, Satria Zulkarnaen"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"chicago":"Miranti, Retno, Daiki Shin, Ricky Dwi Septianto, Maria Ibáñez, Maksym V. Kovalenko, Nobuhiro Matsushita, Yoshihiro Iwasa, and Satria Zulkarnaen Bisri. “Exclusive Electron Transport in Core@Shell PbTe@PbS Colloidal Semiconductor Nanocrystal Assemblies.” ACS Nano. American Chemical Society, 2020. https://doi.org/10.1021/acsnano.9b08687.","ista":"Miranti R, Shin D, Septianto RD, Ibáñez M, Kovalenko MV, Matsushita N, Iwasa Y, Bisri SZ. 2020. Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies. ACS Nano. 14(3), 3242–3250.","mla":"Miranti, Retno, et al. “Exclusive Electron Transport in Core@Shell PbTe@PbS Colloidal Semiconductor Nanocrystal Assemblies.” ACS Nano, vol. 14, no. 3, American Chemical Society, 2020, pp. 3242–50, doi:10.1021/acsnano.9b08687.","ieee":"R. Miranti et al., “Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies,” ACS Nano, vol. 14, no. 3. American Chemical Society, pp. 3242–3250, 2020.","short":"R. Miranti, D. Shin, R.D. Septianto, M. Ibáñez, M.V. Kovalenko, N. Matsushita, Y. Iwasa, S.Z. Bisri, ACS Nano 14 (2020) 3242–3250.","apa":"Miranti, R., Shin, D., Septianto, R. D., Ibáñez, M., Kovalenko, M. V., Matsushita, N., … Bisri, S. Z. (2020). Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.9b08687","ama":"Miranti R, Shin D, Septianto RD, et al. Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies. ACS Nano. 2020;14(3):3242-3250. doi:10.1021/acsnano.9b08687"}},{"ec_funded":1,"volume":12,"issue":"24","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["19448252"]},"intvolume":" 12","month":"06","scopus_import":"1","oa_version":"None","pmid":1,"abstract":[{"lang":"eng","text":"In the present work, we report a solution-based strategy to produce crystallographically textured SnSe bulk nanomaterials and printed layers with optimized thermoelectric performance in the direction normal to the substrate. Our strategy is based on the formulation of a molecular precursor that can be continuously decomposed to produce a SnSe powder or printed into predefined patterns. The precursor formulation and decomposition conditions are optimized to produce pure phase 2D SnSe nanoplates. The printed layer and the bulk material obtained after hot press displays a clear preferential orientation of the crystallographic domains, resulting in an ultralow thermal conductivity of 0.55 W m–1 K–1 in the direction normal to the substrate. Such textured nanomaterials present highly anisotropic properties with the best thermoelectric performance in plane, i.e., in the directions parallel to the substrate, which coincide with the crystallographic bc plane of SnSe. This is an unfortunate characteristic because thermoelectric devices are designed to create/harvest temperature gradients in the direction normal to the substrate. We further demonstrate that this limitation can be overcome with the introduction of small amounts of tellurium in the precursor. The presence of tellurium allows one to reduce the band gap and increase both the charge carrier concentration and the mobility, especially the cross plane, with a minimal decrease of the Seebeck coefficient. These effects translate into record out of plane ZT values at 800 K."}],"department":[{"_id":"MaIb"}],"date_updated":"2023-08-22T07:50:08Z","status":"public","article_type":"original","type":"journal_article","_id":"8039","date_created":"2020-06-29T07:59:35Z","date_published":"2020-06-17T00:00:00Z","doi":"10.1021/acsami.0c04331","page":"27104-27111","publication":"ACS Applied Materials and Interfaces","day":"17","year":"2020","isi":1,"publisher":"American Chemical Society","quality_controlled":"1","title":"Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices","external_id":{"isi":["000542925300032"],"pmid":["32437128"]},"article_processing_charge":"No","author":[{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","last_name":"Liu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Xing, Congcong","last_name":"Xing","first_name":"Congcong"},{"first_name":"Ting","last_name":"Zhang","full_name":"Zhang, Ting"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"first_name":"Mercè","last_name":"Pacios","full_name":"Pacios, Mercè"},{"first_name":"Xiaoting","full_name":"Yu, Xiaoting","last_name":"Yu"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"first_name":"Jordi","full_name":"Llorca, Jordi","last_name":"Llorca"},{"full_name":"Cadavid, Doris","last_name":"Cadavid","first_name":"Doris"},{"last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"mla":"Zhang, Yu, et al. “Tin Selenide Molecular Precursor for the Solution Processing of Thermoelectric Materials and Devices.” ACS Applied Materials and Interfaces, vol. 12, no. 24, American Chemical Society, 2020, pp. 27104–11, doi:10.1021/acsami.0c04331.","apa":"Zhang, Y., Liu, Y., Xing, C., Zhang, T., Li, M., Pacios, M., … Cabot, A. (2020). Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices. ACS Applied Materials and Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.0c04331","ama":"Zhang Y, Liu Y, Xing C, et al. Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices. ACS Applied Materials and Interfaces. 2020;12(24):27104-27111. doi:10.1021/acsami.0c04331","short":"Y. Zhang, Y. Liu, C. Xing, T. Zhang, M. Li, M. Pacios, X. Yu, J. Arbiol, J. Llorca, D. Cadavid, M. Ibáñez, A. Cabot, ACS Applied Materials and Interfaces 12 (2020) 27104–27111.","ieee":"Y. Zhang et al., “Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices,” ACS Applied Materials and Interfaces, vol. 12, no. 24. American Chemical Society, pp. 27104–27111, 2020.","chicago":"Zhang, Yu, Yu Liu, Congcong Xing, Ting Zhang, Mengyao Li, Mercè Pacios, Xiaoting Yu, et al. “Tin Selenide Molecular Precursor for the Solution Processing of Thermoelectric Materials and Devices.” ACS Applied Materials and Interfaces. American Chemical Society, 2020. https://doi.org/10.1021/acsami.0c04331.","ista":"Zhang Y, Liu Y, Xing C, Zhang T, Li M, Pacios M, Yu X, Arbiol J, Llorca J, Cadavid D, Ibáñez M, Cabot A. 2020. Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices. ACS Applied Materials and Interfaces. 12(24), 27104–27111."},"project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}]},{"quality_controlled":"1","publisher":"Elsevier","acknowledgement":"This work was supported by the European Regional Development Funds and by the Spanish Ministerio de Economía y Competitividad through the project SEHTOP, ENE2016- 77798-C4-3-R, and ENE2017-85087-C3. X. Y. thanks the China Scholarship Council for the scholarship support. J. Liu acknowledges support from the Jiangsu University Foundation (4111510011). J. Li obtained International Postdoctoral Exchange Fellowship Program (Talent-Introduction program) in 2019 and is grateful for the project (2019M663468) funded by the China Postdoctoral Science Foundation. Authors acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246, and from IST Austria. ICN2 acknowledges the support from the Severo Ochoa Programme (MINECO, grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. J. Llorca is a Serra Húnter Fellow and is grateful to MICINN/FEDER RTI2018-093996-B-C31, GC 2017 SGR 128 and to ICREA Academia program.","date_published":"2020-11-01T00:00:00Z","doi":"10.1016/j.nanoen.2020.105116","date_created":"2020-08-02T22:00:57Z","isi":1,"year":"2020","day":"01","publication":"Nano Energy","article_number":"105116","author":[{"first_name":"Xiaoting","last_name":"Yu","full_name":"Yu, Xiaoting"},{"first_name":"Junfeng","last_name":"Liu","full_name":"Liu, Junfeng"},{"full_name":"Li, Junshan","last_name":"Li","first_name":"Junshan"},{"first_name":"Zhishan","last_name":"Luo","full_name":"Luo, Zhishan"},{"first_name":"Yong","full_name":"Zuo, Yong","last_name":"Zuo"},{"full_name":"Xing, Congcong","last_name":"Xing","first_name":"Congcong"},{"last_name":"Llorca","full_name":"Llorca, Jordi","first_name":"Jordi"},{"first_name":"Déspina","full_name":"Nasiou, Déspina","last_name":"Nasiou"},{"full_name":"Arbiol, Jordi","last_name":"Arbiol","first_name":"Jordi"},{"last_name":"Pan","full_name":"Pan, Kai","first_name":"Kai"},{"first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","last_name":"Kleinhanns","full_name":"Kleinhanns, Tobias"},{"full_name":"Xie, Ying","last_name":"Xie","first_name":"Ying"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"external_id":{"isi":["000581738300030"]},"article_processing_charge":"No","title":"Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation","citation":{"mla":"Yu, Xiaoting, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic Ethanol Oxidation.” Nano Energy, vol. 77, no. 11, 105116, Elsevier, 2020, doi:10.1016/j.nanoen.2020.105116.","short":"X. Yu, J. Liu, J. Li, Z. Luo, Y. Zuo, C. Xing, J. Llorca, D. Nasiou, J. Arbiol, K. Pan, T. Kleinhanns, Y. Xie, A. Cabot, Nano Energy 77 (2020).","ieee":"X. Yu et al., “Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation,” Nano Energy, vol. 77, no. 11. Elsevier, 2020.","ama":"Yu X, Liu J, Li J, et al. Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. Nano Energy. 2020;77(11). doi:10.1016/j.nanoen.2020.105116","apa":"Yu, X., Liu, J., Li, J., Luo, Z., Zuo, Y., Xing, C., … Cabot, A. (2020). Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. Nano Energy. Elsevier. https://doi.org/10.1016/j.nanoen.2020.105116","chicago":"Yu, Xiaoting, Junfeng Liu, Junshan Li, Zhishan Luo, Yong Zuo, Congcong Xing, Jordi Llorca, et al. “Phosphorous Incorporation in Pd2Sn Alloys for Electrocatalytic Ethanol Oxidation.” Nano Energy. Elsevier, 2020. https://doi.org/10.1016/j.nanoen.2020.105116.","ista":"Yu X, Liu J, Li J, Luo Z, Zuo Y, Xing C, Llorca J, Nasiou D, Arbiol J, Pan K, Kleinhanns T, Xie Y, Cabot A. 2020. Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation. Nano Energy. 77(11), 105116."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","scopus_import":"1","month":"11","intvolume":" 77","abstract":[{"text":"Direct ethanol fuel cells (DEFCs) show a huge potential to power future electric vehicles and portable electronics, but their deployment is currently limited by the unavailability of proper electrocatalysis for the ethanol oxidation reaction (EOR). In this work, we engineer a new electrocatalyst by incorporating phosphorous into a palladium-tin alloy and demonstrate a significant performance improvement toward EOR. We first detail a synthetic method to produce Pd2Sn:P nanocrystals that incorporate 35% of phosphorus. These nanoparticles are supported on carbon black and tested for EOR. Pd2Sn:P/C catalysts exhibit mass current densities up to 5.03 A mgPd−1, well above those of Pd2Sn/C, PdP2/C and Pd/C reference catalysts. Furthermore, a twofold lower Tafel slope and a much longer durability are revealed for the Pd2Sn:P/C catalyst compared with Pd/C. The performance improvement is rationalized with the aid of density functional theory (DFT) calculations considering different phosphorous chemical environments. Depending on its oxidation state, surface phosphorus introduces sites with low energy OH− adsorption and/or strongly influences the electronic structure of palladium and tin to facilitate the oxidation of the acetyl to acetic acid, which is considered the EOR rate limiting step. DFT calculations also points out that the durability improvement of Pd2Sn:P/C catalyst is associated to the promotion of OH adsorption that accelerates the oxidation of intermediate poisoning COads, reactivating the catalyst surface.","lang":"eng"}],"oa_version":"None","volume":77,"issue":"11","publication_identifier":{"issn":["2211-2855"]},"publication_status":"published","language":[{"iso":"eng"}],"type":"journal_article","article_type":"original","status":"public","_id":"8189","department":[{"_id":"MaIb"}],"date_updated":"2023-08-22T08:24:05Z"},{"title":"Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks","article_processing_charge":"No","external_id":{"isi":["000581559100015"]},"author":[{"full_name":"Zhang, Yu","last_name":"Zhang","first_name":"Yu"},{"last_name":"Liu","orcid":"0000-0001-7313-6740","full_name":"Liu, Yu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Mariano","last_name":"Calcabrini","full_name":"Calcabrini, Mariano"},{"full_name":"Xing, Congcong","last_name":"Xing","first_name":"Congcong"},{"first_name":"Xu","full_name":"Han, Xu","last_name":"Han"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"last_name":"Cadavid","full_name":"Cadavid, Doris","first_name":"Doris"},{"last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ieee":"Y. Zhang et al., “Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks,” Journal of Materials Chemistry C, vol. 8, no. 40. Royal Society of Chemistry, pp. 14092–14099, 2020.","short":"Y. Zhang, Y. Liu, M. Calcabrini, C. Xing, X. Han, J. Arbiol, D. Cadavid, M. Ibáñez, A. Cabot, Journal of Materials Chemistry C 8 (2020) 14092–14099.","ama":"Zhang Y, Liu Y, Calcabrini M, et al. Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks. Journal of Materials Chemistry C. 2020;8(40):14092-14099. doi:10.1039/D0TC02182B","apa":"Zhang, Y., Liu, Y., Calcabrini, M., Xing, C., Han, X., Arbiol, J., … Cabot, A. (2020). Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks. Journal of Materials Chemistry C. Royal Society of Chemistry. https://doi.org/10.1039/D0TC02182B","mla":"Zhang, Yu, et al. “Bismuth Telluride-Copper Telluride Nanocomposites from Heterostructured Building Blocks.” Journal of Materials Chemistry C, vol. 8, no. 40, Royal Society of Chemistry, 2020, pp. 14092–99, doi:10.1039/D0TC02182B.","ista":"Zhang Y, Liu Y, Calcabrini M, Xing C, Han X, Arbiol J, Cadavid D, Ibáñez M, Cabot A. 2020. Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks. Journal of Materials Chemistry C. 8(40), 14092–14099.","chicago":"Zhang, Yu, Yu Liu, Mariano Calcabrini, Congcong Xing, Xu Han, Jordi Arbiol, Doris Cadavid, Maria Ibáñez, and Andreu Cabot. “Bismuth Telluride-Copper Telluride Nanocomposites from Heterostructured Building Blocks.” Journal of Materials Chemistry C. Royal Society of Chemistry, 2020. https://doi.org/10.1039/D0TC02182B."},"project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}],"date_created":"2020-11-09T08:37:51Z","date_published":"2020-10-28T00:00:00Z","doi":"10.1039/D0TC02182B","page":"14092-14099","publication":"Journal of Materials Chemistry C","day":"28","year":"2020","isi":1,"publisher":"Royal Society of Chemistry","quality_controlled":"1","acknowledgement":"This work was supported by the European Regional Development Funds and by the Spanish Ministerio de Economı´a y\r\nCompetitividad through the project SEHTOP (ENE2016-77798-C4-3-R). Y. Z. and X. H., thank the China Scholarship Council for scholarship support. M. C. has received funding from the European Union’s Horizon 2020 Research and Innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. M. I. acknowledges financial support from IST Austria. Y. L. acknowledges funding from the European Union’s Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement no. 754411. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project ENE2017-85087-C3. ICN2 is supported by the Severo Ochoa program from the Spanish MINECO (grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat \r\nAuto`noma de Barcelona Materials Science PhD program.","department":[{"_id":"MaIb"}],"date_updated":"2023-08-22T12:41:05Z","status":"public","type":"journal_article","article_type":"original","_id":"8747","ec_funded":1,"volume":8,"issue":"40","language":[{"iso":"eng"}],"publication_status":"published","intvolume":" 8","month":"10","scopus_import":"1","oa_version":"None","abstract":[{"text":"Appropriately designed nanocomposites allow improving the thermoelectric performance by several mechanisms, including phonon scattering, modulation doping and energy filtering, while additionally promoting better mechanical properties than those of crystalline materials. Here, a strategy for producing Bi2Te3–Cu2xTe nanocomposites based on the consolidation of heterostructured nanoparticles is described and the thermoelectric properties of the obtained materials are investigated. We first detail a two-step solution-based process to produce Bi2Te3–Cu2xTe heteronanostructures, based on the growth of Cu2xTe nanocrystals on the surface of Bi2Te3 nanowires. We characterize the structural and chemical properties of the synthesized nanostructures and of the nanocomposites\r\nproduced by hot-pressing the particles at moderate temperatures. Besides, the transport properties of the nanocomposites are investigated as a function of the amount of Cu introduced. Overall, the presence of Cu decreases the material thermal conductivity through promotion of phonon scattering, modulates the charge carrier concentration through electron spillover, and increases the Seebeck coefficient through filtering of charge carriers at energy barriers. These effects result in an improvement of over 50% of the thermoelectric figure of merit of Bi2Te3.","lang":"eng"}]},{"date_created":"2020-12-06T23:01:15Z","doi":"10.1021/acscatal.0c03210","date_published":"2020-11-20T00:00:00Z","page":"13468-13478","publication":"ACS Catalysis","day":"20","year":"2020","isi":1,"quality_controlled":"1","publisher":"American Chemical Society","acknowledgement":"The authors also acknowledge financial support from the University Research Fund (BOF-GOA-PS ID No. 33928). S.L. has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385.","title":"Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction","external_id":{"isi":["000592978900031"]},"article_processing_charge":"No","author":[{"first_name":"Erdem","last_name":"Irtem","full_name":"Irtem, Erdem"},{"last_name":"Arenas Esteban","full_name":"Arenas Esteban, Daniel","first_name":"Daniel"},{"first_name":"Miguel","last_name":"Duarte","full_name":"Duarte, Miguel"},{"last_name":"Choukroun","full_name":"Choukroun, Daniel","first_name":"Daniel"},{"last_name":"Lee","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","first_name":"Seungho","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"first_name":"Sara","last_name":"Bals","full_name":"Bals, Sara"},{"first_name":"Tom","full_name":"Breugelmans, Tom","last_name":"Breugelmans"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"ista":"Irtem E, Arenas Esteban D, Duarte M, Choukroun D, Lee S, Ibáñez M, Bals S, Breugelmans T. 2020. Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction. ACS Catalysis. 10(22), 13468–13478.","chicago":"Irtem, Erdem, Daniel Arenas Esteban, Miguel Duarte, Daniel Choukroun, Seungho Lee, Maria Ibáñez, Sara Bals, and Tom Breugelmans. “Ligand-Mode Directed Selectivity in Cu-Ag Core-Shell Based Gas Diffusion Electrodes for CO2 Electroreduction.” ACS Catalysis. American Chemical Society, 2020. https://doi.org/10.1021/acscatal.0c03210.","apa":"Irtem, E., Arenas Esteban, D., Duarte, M., Choukroun, D., Lee, S., Ibáñez, M., … Breugelmans, T. (2020). Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction. ACS Catalysis. American Chemical Society. https://doi.org/10.1021/acscatal.0c03210","ama":"Irtem E, Arenas Esteban D, Duarte M, et al. Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction. ACS Catalysis. 2020;10(22):13468-13478. doi:10.1021/acscatal.0c03210","short":"E. Irtem, D. Arenas Esteban, M. Duarte, D. Choukroun, S. Lee, M. Ibáñez, S. Bals, T. Breugelmans, ACS Catalysis 10 (2020) 13468–13478.","ieee":"E. Irtem et al., “Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction,” ACS Catalysis, vol. 10, no. 22. American Chemical Society, pp. 13468–13478, 2020.","mla":"Irtem, Erdem, et al. “Ligand-Mode Directed Selectivity in Cu-Ag Core-Shell Based Gas Diffusion Electrodes for CO2 Electroreduction.” ACS Catalysis, vol. 10, no. 22, American Chemical Society, 2020, pp. 13468–78, doi:10.1021/acscatal.0c03210."},"project":[{"grant_number":"665385","name":"International IST Doctoral Program","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"ec_funded":1,"volume":10,"issue":"22","language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"eissn":["21555435"]},"intvolume":" 10","month":"11","scopus_import":"1","oa_version":"None","abstract":[{"text":"Bimetallic nanoparticles with tailored size and specific composition have shown promise as stable and selective catalysts for electrochemical reduction of CO2 (CO2R) in batch systems. Yet, limited effort was devoted to understand the effect of ligand coverage and postsynthesis treatments on CO2 reduction, especially under industrially applicable conditions, such as at high currents (>100 mA/cm2) using gas diffusion electrodes (GDE) and flow reactors. In this work, Cu–Ag core–shell nanoparticles (11 ± 2 nm) were prepared with three different surface modes: (i) capped with oleylamine, (ii) capped with monoisopropylamine, and (iii) surfactant-free with a reducing borohydride agent; Cu–Ag (OAm), Cu–Ag (MIPA), and Cu–Ag (NaBH4), respectively. The ligand exchange and removal was evidenced by infrared spectroscopy (ATR-FTIR) analysis, whereas high-resolution scanning transmission electron microscopy (HAADF-STEM) showed their effect on the interparticle distance and nanoparticle rearrangement. Later on, we developed a process-on-substrate method to track these effects on CO2R. Cu–Ag (OAm) gave a lower on-set potential for hydrocarbon production, whereas Cu–Ag (MIPA) and Cu–Ag (NaBH4) promoted syngas production. The electrochemical impedance and surface area analysis on the well-controlled electrodes showed gradual increases in the electrical conductivity and active surface area after each surface treatment. We found that the increasing amount of the triple phase boundaries (the meeting point for the electron–electrolyte–CO2 reactant) affect the required electrode potential and eventually the C+2e̅/C2e̅ product ratio. This study highlights the importance of the electron transfer to those active sites affected by the capping agents—particularly on larger substrates that are crucial for their industrial application.","lang":"eng"}],"department":[{"_id":"MaIb"}],"date_updated":"2023-08-24T10:52:32Z","status":"public","type":"journal_article","article_type":"original","_id":"8926"},{"oa":1,"quality_controlled":"1","publisher":"AIP Publishing","acknowledgement":"This work was partly supported by Grants-in-Aid for Scientific Research by Young Scientist A (KAKENHI Wakate-A) No.\r\nJP17H04802, Grants-in-Aid for Scientific Research No. JP19H05602 from the Japan Society for the Promotion of Science, and RIKEN Incentive Research Grant (Shoreikadai) 2016. M.V.K. and M.I. acknowledge financial support from the European Union (EU) via FP7 ERC Starting Grant 2012 (Project NANOSOLID, GA No. 306733) and ETH Zurich via ETH career seed grant (No. SEED-18 16-2). We acknowledge Mrs. T. Kikitsu and Dr. D. Hashizume (RIKEN-CEMS) for access to the transmission electron microscope facility.","date_created":"2020-11-09T08:05:43Z","date_published":"2020-10-26T00:00:00Z","doi":"10.1063/5.0025965","year":"2020","isi":1,"publication":"Applied Physics Letters","day":"26","article_number":"173101","article_processing_charge":"No","external_id":{"isi":["000591639700001"]},"author":[{"last_name":"Miranti","full_name":"Miranti, Retno","first_name":"Retno"},{"first_name":"Ricky Dwi","last_name":"Septianto","full_name":"Septianto, Ricky Dwi"},{"full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"first_name":"Maksym V.","last_name":"Kovalenko","full_name":"Kovalenko, Maksym V."},{"first_name":"Nobuhiro","full_name":"Matsushita, Nobuhiro","last_name":"Matsushita"},{"last_name":"Iwasa","full_name":"Iwasa, Yoshihiro","first_name":"Yoshihiro"},{"first_name":"Satria Zulkarnaen","last_name":"Bisri","full_name":"Bisri, Satria Zulkarnaen"}],"title":"Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids","citation":{"mla":"Miranti, Retno, et al. “Electron Transport in Iodide-Capped Core@shell PbTe@PbS Colloidal Nanocrystal Solids.” Applied Physics Letters, vol. 117, no. 17, 173101, AIP Publishing, 2020, doi:10.1063/5.0025965.","ama":"Miranti R, Septianto RD, Ibáñez M, et al. Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids. Applied Physics Letters. 2020;117(17). doi:10.1063/5.0025965","apa":"Miranti, R., Septianto, R. D., Ibáñez, M., Kovalenko, M. V., Matsushita, N., Iwasa, Y., & Bisri, S. Z. (2020). Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids. Applied Physics Letters. AIP Publishing. https://doi.org/10.1063/5.0025965","ieee":"R. Miranti et al., “Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids,” Applied Physics Letters, vol. 117, no. 17. AIP Publishing, 2020.","short":"R. Miranti, R.D. Septianto, M. Ibáñez, M.V. Kovalenko, N. Matsushita, Y. Iwasa, S.Z. Bisri, Applied Physics Letters 117 (2020).","chicago":"Miranti, Retno, Ricky Dwi Septianto, Maria Ibáñez, Maksym V. Kovalenko, Nobuhiro Matsushita, Yoshihiro Iwasa, and Satria Zulkarnaen Bisri. “Electron Transport in Iodide-Capped Core@shell PbTe@PbS Colloidal Nanocrystal Solids.” Applied Physics Letters. AIP Publishing, 2020. https://doi.org/10.1063/5.0025965.","ista":"Miranti R, Septianto RD, Ibáñez M, Kovalenko MV, Matsushita N, Iwasa Y, Bisri SZ. 2020. Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids. Applied Physics Letters. 117(17), 173101."},"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","main_file_link":[{"url":"https://doi.org/10.1063/5.0025965","open_access":"1"}],"scopus_import":"1","intvolume":" 117","month":"10","abstract":[{"text":"Research in the field of colloidal semiconductor nanocrystals (NCs) has progressed tremendously, mostly because of their exceptional optoelectronic properties. Core@shell NCs, in which one or more inorganic layers overcoat individual NCs, recently received significant attention due to their remarkable optical characteristics. Reduced Auger recombination, suppressed blinking, and enhanced carrier multiplication are among the merits of core@shell NCs. Despite their importance in device development, the influence of the shell and the surface modification of the core@shell NC assemblies on the charge carrier transport remains a pertinent research objective. Type-II PbTe@PbS core@shell NCs, in which exclusive electron transport was demonstrated, still exhibit instability of their electron \r\n ransport. Here, we demonstrate the enhancement of electron transport and stability in PbTe@PbS core@shell NC assemblies using iodide as a surface passivating ligand. The combination of the PbS shelling and the use of the iodide ligand contributes to the addition of one mobile electron for each core@shell NC. Furthermore, both electron mobility and on/off current modulation ratio values of the core@shell NC field-effect transistor are steady with the usage of iodide. Excellent stability in these exclusively electron-transporting core@shell NCs paves the way for their utilization in electronic devices. ","lang":"eng"}],"oa_version":"Published Version","issue":"17","volume":117,"publication_status":"published","publication_identifier":{"issn":["0003-6951"],"eissn":["1077-3118"]},"language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","status":"public","_id":"8746","department":[{"_id":"MaIb"}],"date_updated":"2023-09-05T11:57:23Z"},{"volume":13,"issue":"6","ec_funded":1,"file":[{"file_size":8628690,"date_updated":"2020-07-14T12:47:33Z","creator":"dernst","file_name":"2019_ACSNano_Ibanez.pdf","date_created":"2019-07-16T14:17:09Z","content_type":"application/pdf","relation":"main_file","access_level":"open_access","file_id":"6644"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"publication_status":"published","month":"06","intvolume":" 13","scopus_import":"1","pmid":1,"oa_version":"Published Version","abstract":[{"text":"Methodologies that involve the use of nanoparticles as “artificial atoms” to rationally build materials in a bottom-up fashion are particularly well-suited to control the matter at the nanoscale. Colloidal synthetic routes allow for an exquisite control over such “artificial atoms” in terms of size, shape, and crystal phase as well as core and surface compositions. We present here a bottom-up approach to produce Pb–Ag–K–S–Te nanocomposites, which is a highly promising system for thermoelectric energy conversion. First, we developed a high-yield and scalable colloidal synthesis route to uniform lead sulfide (PbS) nanorods, whose tips are made of silver sulfide (Ag2S). We then took advantage of the large surface-to-volume ratio to introduce a p-type dopant (K) by replacing native organic ligands with K2Te. Upon thermal consolidation, K2Te-surface modified PbS–Ag2S nanorods yield p-type doped nanocomposites with PbTe and PbS as major phases and Ag2S and Ag2Te as embedded nanoinclusions. Thermoelectric characterization of such consolidated nanosolids showed a high thermoelectric figure-of-merit of 1 at 620 K.","lang":"eng"}],"file_date_updated":"2020-07-14T12:47:33Z","department":[{"_id":"MaIb"}],"ddc":["540"],"date_updated":"2023-08-28T12:20:53Z","status":"public","keyword":["colloidal nanoparticles","asymmetric nanoparticles","inorganic ligands","heterostructures","catalyst assisted growth","nanocomposites","thermoelectrics"],"type":"journal_article","article_type":"original","_id":"6566","date_published":"2019-06-25T00:00:00Z","doi":"10.1021/acsnano.9b00346","date_created":"2019-06-18T13:54:34Z","page":"6572-6580","day":"25","publication":"ACS Nano","isi":1,"has_accepted_license":"1","year":"2019","publisher":"American Chemical Society","quality_controlled":"1","oa":1,"title":"Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks","author":[{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","full_name":"Ibáñez, Maria","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"},{"first_name":"Aziz","full_name":"Genç, Aziz","last_name":"Genç"},{"first_name":"Roger","last_name":"Hasler","full_name":"Hasler, Roger"},{"full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu"},{"first_name":"Oleksandr","full_name":"Dobrozhan, Oleksandr","last_name":"Dobrozhan"},{"first_name":"Olga","last_name":"Nazarenko","full_name":"Nazarenko, Olga"},{"full_name":"Mata, María de la","last_name":"Mata","first_name":"María de la"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"full_name":"Cabot, Andreu","last_name":"Cabot","first_name":"Andreu"},{"last_name":"Kovalenko","full_name":"Kovalenko, Maksym V.","first_name":"Maksym V."}],"external_id":{"isi":["000473248300043"],"pmid":["31185159"]},"article_processing_charge":"Yes (in subscription journal)","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"chicago":"Ibáñez, Maria, Aziz Genç, Roger Hasler, Yu Liu, Oleksandr Dobrozhan, Olga Nazarenko, María de la Mata, Jordi Arbiol, Andreu Cabot, and Maksym V. Kovalenko. “Tuning Transport Properties in Thermoelectric Nanocomposites through Inorganic Ligands and Heterostructured Building Blocks.” ACS Nano. American Chemical Society, 2019. https://doi.org/10.1021/acsnano.9b00346.","ista":"Ibáñez M, Genç A, Hasler R, Liu Y, Dobrozhan O, Nazarenko O, Mata M de la, Arbiol J, Cabot A, Kovalenko MV. 2019. Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks. ACS Nano. 13(6), 6572–6580.","mla":"Ibáñez, Maria, et al. “Tuning Transport Properties in Thermoelectric Nanocomposites through Inorganic Ligands and Heterostructured Building Blocks.” ACS Nano, vol. 13, no. 6, American Chemical Society, 2019, pp. 6572–80, doi:10.1021/acsnano.9b00346.","ieee":"M. Ibáñez et al., “Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks,” ACS Nano, vol. 13, no. 6. American Chemical Society, pp. 6572–6580, 2019.","short":"M. Ibáñez, A. Genç, R. Hasler, Y. Liu, O. Dobrozhan, O. Nazarenko, M. de la Mata, J. Arbiol, A. Cabot, M.V. Kovalenko, ACS Nano 13 (2019) 6572–6580.","apa":"Ibáñez, M., Genç, A., Hasler, R., Liu, Y., Dobrozhan, O., Nazarenko, O., … Kovalenko, M. V. (2019). Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.9b00346","ama":"Ibáñez M, Genç A, Hasler R, et al. Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks. ACS Nano. 2019;13(6):6572-6580. doi:10.1021/acsnano.9b00346"},"project":[{"grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}]},{"author":[{"full_name":"Yumusak, Cigdem","last_name":"Yumusak","first_name":"Cigdem"},{"last_name":"Prochazkova","full_name":"Prochazkova, Anna Jancik","first_name":"Anna Jancik"},{"full_name":"Apaydin, Dogukan H","orcid":"0000-0002-1075-8857","last_name":"Apaydin","first_name":"Dogukan H","id":"2FF891BC-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Hathaichanok","full_name":"Seelajaroen, Hathaichanok","last_name":"Seelajaroen"},{"first_name":"Niyazi Serdar","full_name":"Sariciftci, Niyazi Serdar","last_name":"Sariciftci"},{"first_name":"Martin","full_name":"Weiter, Martin","last_name":"Weiter"},{"last_name":"Krajcovic","full_name":"Krajcovic, Jozef","first_name":"Jozef"},{"full_name":"Qin, Yong","last_name":"Qin","first_name":"Yong"},{"last_name":"Zhang","full_name":"Zhang, Wei","first_name":"Wei"},{"full_name":"Zhan, Jixun","last_name":"Zhan","first_name":"Jixun"},{"first_name":"Alexander","full_name":"Kovalenko, Alexander","last_name":"Kovalenko"}],"external_id":{"isi":["000484870700099"]},"article_processing_charge":"No","title":"Indigoidine - Biosynthesized organic semiconductor","citation":{"mla":"Yumusak, Cigdem, et al. “Indigoidine - Biosynthesized Organic Semiconductor.” Dyes and Pigments, vol. 171, 107768, Elsevier, 2019, doi:10.1016/j.dyepig.2019.107768.","apa":"Yumusak, C., Prochazkova, A. J., Apaydin, D. H., Seelajaroen, H., Sariciftci, N. S., Weiter, M., … Kovalenko, A. (2019). Indigoidine - Biosynthesized organic semiconductor. Dyes and Pigments. Elsevier. https://doi.org/10.1016/j.dyepig.2019.107768","ama":"Yumusak C, Prochazkova AJ, Apaydin DH, et al. Indigoidine - Biosynthesized organic semiconductor. Dyes and Pigments. 2019;171. doi:10.1016/j.dyepig.2019.107768","short":"C. Yumusak, A.J. Prochazkova, D.H. Apaydin, H. Seelajaroen, N.S. Sariciftci, M. Weiter, J. Krajcovic, Y. Qin, W. Zhang, J. Zhan, A. Kovalenko, Dyes and Pigments 171 (2019).","ieee":"C. Yumusak et al., “Indigoidine - Biosynthesized organic semiconductor,” Dyes and Pigments, vol. 171. Elsevier, 2019.","chicago":"Yumusak, Cigdem, Anna Jancik Prochazkova, Dogukan H Apaydin, Hathaichanok Seelajaroen, Niyazi Serdar Sariciftci, Martin Weiter, Jozef Krajcovic, et al. “Indigoidine - Biosynthesized Organic Semiconductor.” Dyes and Pigments. Elsevier, 2019. https://doi.org/10.1016/j.dyepig.2019.107768.","ista":"Yumusak C, Prochazkova AJ, Apaydin DH, Seelajaroen H, Sariciftci NS, Weiter M, Krajcovic J, Qin Y, Zhang W, Zhan J, Kovalenko A. 2019. Indigoidine - Biosynthesized organic semiconductor. Dyes and Pigments. 171, 107768."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","article_number":"107768","date_published":"2019-12-01T00:00:00Z","doi":"10.1016/j.dyepig.2019.107768","date_created":"2019-08-18T22:00:39Z","isi":1,"year":"2019","day":"01","publication":"Dyes and Pigments","quality_controlled":"1","publisher":"Elsevier","department":[{"_id":"MaIb"}],"date_updated":"2023-08-29T07:11:09Z","type":"journal_article","article_type":"original","status":"public","_id":"6818","volume":171,"publication_identifier":{"issn":["0143-7208"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","month":"12","intvolume":" 171","abstract":[{"text":"Indigoidine is a blue natural pigment, which can be efficiently synthetized in E. coli. In addition to its antioxidant and antimicrobial activities indigoidine due to its stability and deep blue color can find an application as an industrial, environmentally friendly dye. Moreover, similarly to its counterpart regular indigo dye, due to its molecular structure, indigoidine is an organic semiconductor. Fully conjugated aromatic moiety and intermolecular hydrogen bonding of indigoidine result in an unusually narrow bandgap for such a small molecule. This, in its turn, result is tight molecular packing in the solid state and opens a path for a wide range of application in organic and bio-electronics, such as electrochemical and field effect transistors, organic solar cells, light and bio-sensors etc.","lang":"eng"}],"oa_version":"None"},{"status":"public","article_type":"original","type":"journal_article","_id":"6586","file_date_updated":"2020-07-14T12:47:34Z","department":[{"_id":"MaIb"}],"ddc":["540"],"date_updated":"2023-09-05T12:03:45Z","month":"04","intvolume":" 141","scopus_import":"1","pmid":1,"oa_version":"Published Version","abstract":[{"lang":"eng","text":"The bottom-up assembly of colloidal nanocrystals is a versatile methodology to produce composite nanomaterials with precisely tuned electronic properties. Beyond the synthetic control over crystal domain size, shape, crystal phase, and composition, solution-processed nanocrystals allow exquisite surface engineering. This provides additional means to modulate the nanomaterial characteristics and particularly its electronic transport properties. For instance, inorganic surface ligands can be used to tune the type and concentration of majority carriers or to modify the electronic band structure. Herein, we report the thermoelectric properties of SnTe nanocomposites obtained from the consolidation of surface-engineered SnTe nanocrystals into macroscopic pellets. A CdSe-based ligand is selected to (i) converge the light and heavy bands through partial Cd alloying and (ii) generate CdSe nanoinclusions as a secondary phase within the SnTe matrix, thereby reducing the thermal conductivity. These SnTe-CdSe nanocomposites possess thermoelectric figures of merit of up to 1.3 at 850 K, which is, to the best of our knowledge, the highest thermoelectric figure of merit reported for solution-processed SnTe."}],"volume":141,"issue":"20","ec_funded":1,"file":[{"relation":"main_file","access_level":"open_access","content_type":"application/pdf","file_id":"6587","checksum":"34d7ec837869cc6a07996b54f75696b7","creator":"cpetz","file_size":6234004,"date_updated":"2020-07-14T12:47:34Z","file_name":"JACS_April2019.pdf","date_created":"2019-06-25T11:59:00Z"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"publication_status":"published","project":[{"grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"title":"Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion","author":[{"orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria"},{"last_name":"Hasler","full_name":"Hasler, Roger","first_name":"Roger"},{"first_name":"Aziz","last_name":"Genç","full_name":"Genç, Aziz"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu"},{"first_name":"Beatrice","full_name":"Kuster, Beatrice","last_name":"Kuster"},{"first_name":"Maximilian","full_name":"Schuster, Maximilian","last_name":"Schuster"},{"last_name":"Dobrozhan","full_name":"Dobrozhan, Oleksandr","first_name":"Oleksandr"},{"last_name":"Cadavid","full_name":"Cadavid, Doris","first_name":"Doris"},{"full_name":"Arbiol, Jordi","last_name":"Arbiol","first_name":"Jordi"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"},{"first_name":"Maksym V.","full_name":"Kovalenko, Maksym V.","last_name":"Kovalenko"}],"article_processing_charge":"No","external_id":{"isi":["000469292300004"],"pmid":["31017419 "]},"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","citation":{"ista":"Ibáñez M, Hasler R, Genç A, Liu Y, Kuster B, Schuster M, Dobrozhan O, Cadavid D, Arbiol J, Cabot A, Kovalenko MV. 2019. Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion. Journal of the American Chemical Society. 141(20), 8025–8029.","chicago":"Ibáñez, Maria, Roger Hasler, Aziz Genç, Yu Liu, Beatrice Kuster, Maximilian Schuster, Oleksandr Dobrozhan, et al. “Ligand-Mediated Band Engineering in Bottom-up Assembled SnTe Nanocomposites for Thermoelectric Energy Conversion.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b01394.","ieee":"M. Ibáñez et al., “Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion,” Journal of the American Chemical Society, vol. 141, no. 20. American Chemical Society, pp. 8025–8029, 2019.","short":"M. Ibáñez, R. Hasler, A. Genç, Y. Liu, B. Kuster, M. Schuster, O. Dobrozhan, D. Cadavid, J. Arbiol, A. Cabot, M.V. Kovalenko, Journal of the American Chemical Society 141 (2019) 8025–8029.","apa":"Ibáñez, M., Hasler, R., Genç, A., Liu, Y., Kuster, B., Schuster, M., … Kovalenko, M. V. (2019). Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.9b01394","ama":"Ibáñez M, Hasler R, Genç A, et al. Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion. Journal of the American Chemical Society. 2019;141(20):8025-8029. doi:10.1021/jacs.9b01394","mla":"Ibáñez, Maria, et al. “Ligand-Mediated Band Engineering in Bottom-up Assembled SnTe Nanocomposites for Thermoelectric Energy Conversion.” Journal of the American Chemical Society, vol. 141, no. 20, American Chemical Society, 2019, pp. 8025–29, doi:10.1021/jacs.9b01394."},"publisher":"American Chemical Society","quality_controlled":"1","oa":1,"date_published":"2019-04-19T00:00:00Z","doi":"10.1021/jacs.9b01394","date_created":"2019-06-25T11:53:35Z","page":"8025-8029","day":"19","publication":"Journal of the American Chemical Society","isi":1,"has_accepted_license":"1","year":"2019"},{"page":"17063-17068","date_published":"2018-12-21T00:00:00Z","doi":"10.1002/anie.201809847","date_created":"2019-02-14T10:23:27Z","isi":1,"year":"2018","day":"21","publication":"Angewandte Chemie International Edition","publisher":"Wiley","quality_controlled":"1","oa":1,"author":[{"first_name":"Yu","last_name":"Zhang","full_name":"Zhang, Yu"},{"last_name":"Liu","full_name":"Liu, Yu","first_name":"Yu"},{"full_name":"Lim, Khak Ho","last_name":"Lim","first_name":"Khak Ho"},{"last_name":"Xing","full_name":"Xing, Congcong","first_name":"Congcong"},{"first_name":"Mengyao","last_name":"Li","full_name":"Li, Mengyao"},{"last_name":"Zhang","full_name":"Zhang, Ting","first_name":"Ting"},{"first_name":"Pengyi","full_name":"Tang, Pengyi","last_name":"Tang"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"full_name":"Llorca, Jordi","last_name":"Llorca","first_name":"Jordi"},{"first_name":"Ka Ming","last_name":"Ng","full_name":"Ng, Ka Ming"},{"first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria"},{"first_name":"Pablo","last_name":"Guardia","full_name":"Guardia, Pablo"},{"full_name":"Prato, Mirko","last_name":"Prato","first_name":"Mirko"},{"first_name":"Doris","full_name":"Cadavid, Doris","last_name":"Cadavid"},{"first_name":"Andreu","last_name":"Cabot","full_name":"Cabot, Andreu"}],"external_id":{"isi":["000454575500020"]},"article_processing_charge":"No","title":"Tin diselenide molecular precursor for solution-processable thermoelectric materials","citation":{"short":"Y. Zhang, Y. Liu, K.H. Lim, C. Xing, M. Li, T. Zhang, P. Tang, J. Arbiol, J. Llorca, K.M. Ng, M. Ibáñez, P. Guardia, M. Prato, D. Cadavid, A. Cabot, Angewandte Chemie International Edition 57 (2018) 17063–17068.","ieee":"Y. Zhang et al., “Tin diselenide molecular precursor for solution-processable thermoelectric materials,” Angewandte Chemie International Edition, vol. 57, no. 52. Wiley, pp. 17063–17068, 2018.","ama":"Zhang Y, Liu Y, Lim KH, et al. Tin diselenide molecular precursor for solution-processable thermoelectric materials. Angewandte Chemie International Edition. 2018;57(52):17063-17068. doi:10.1002/anie.201809847","apa":"Zhang, Y., Liu, Y., Lim, K. H., Xing, C., Li, M., Zhang, T., … Cabot, A. (2018). Tin diselenide molecular precursor for solution-processable thermoelectric materials. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201809847","mla":"Zhang, Yu, et al. “Tin Diselenide Molecular Precursor for Solution-Processable Thermoelectric Materials.” Angewandte Chemie International Edition, vol. 57, no. 52, Wiley, 2018, pp. 17063–68, doi:10.1002/anie.201809847.","ista":"Zhang Y, Liu Y, Lim KH, Xing C, Li M, Zhang T, Tang P, Arbiol J, Llorca J, Ng KM, Ibáñez M, Guardia P, Prato M, Cadavid D, Cabot A. 2018. Tin diselenide molecular precursor for solution-processable thermoelectric materials. Angewandte Chemie International Edition. 57(52), 17063–17068.","chicago":"Zhang, Yu, Yu Liu, Khak Ho Lim, Congcong Xing, Mengyao Li, Ting Zhang, Pengyi Tang, et al. “Tin Diselenide Molecular Precursor for Solution-Processable Thermoelectric Materials.” Angewandte Chemie International Edition. Wiley, 2018. https://doi.org/10.1002/anie.201809847."},"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","issue":"52","volume":57,"publication_identifier":{"issn":["1433-7851"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://upcommons.upc.edu/bitstream/2117/130444/1/Zhang%20preprint.pdf"}],"month":"12","intvolume":" 57","abstract":[{"text":"In the present work, we detail a fast and simple solution-based method to synthesize hexagonal SnSe2 nanoplates (NPLs) and their use to produce crystallographically textured SnSe2 nanomaterials. We also demonstrate that the same strategy can be used to produce orthorhombic SnSe nanostructures and nanomaterials. NPLs are grown through a screw dislocation-driven mechanism. This mechanism typically results in pyramidal structures, but we demonstrate here that the growth from multiple dislocations results in flower-like structures. Crystallographically textured SnSe2 bulk nanomaterials obtained from the hot pressing of these SnSe2 structures display highly anisotropic charge and heat transport properties and thermoelectric (TE) figures of merit limited by relatively low electrical conductivities. To improve this parameter, SnSe2 NPLs are blended here with metal nanoparticles. The electrical conductivities of the blends are significantly improved with respect to bare SnSe2 NPLs, what translates into a three-fold increase of the TE Figure of merit, reaching unprecedented ZT values up to 0.65.","lang":"eng"}],"oa_version":"Submitted Version","department":[{"_id":"MaIb"}],"date_updated":"2023-09-19T14:28:31Z","type":"journal_article","article_type":"original","status":"public","_id":"5982"}]