--- _id: '14828' abstract: - lang: eng 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. 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 article_type: original author: - first_name: Gundegowda Kalligowdanadoddi full_name: Kiran, Gundegowda Kalligowdanadoddi last_name: Kiran - first_name: Saurabh full_name: Singh, Saurabh id: 12d625da-9cb3-11ed-9667-af09d37d3f0a last_name: Singh orcid: 0000-0003-2209-5269 - first_name: Neelima full_name: Mahato, Neelima last_name: Mahato - first_name: Thupakula Venkata Madhukar full_name: Sreekanth, Thupakula Venkata Madhukar last_name: Sreekanth - first_name: Gowra Raghupathy full_name: Dillip, Gowra Raghupathy last_name: Dillip - first_name: Kisoo full_name: Yoo, Kisoo last_name: Yoo - first_name: Jonghoon full_name: Kim, Jonghoon last_name: Kim citation: 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 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. 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. 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. 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. 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. date_created: 2024-01-17T12:48:35Z date_published: 2024-01-08T00:00:00Z date_updated: 2024-01-22T13:47:39Z day: '08' department: - _id: MaIb doi: 10.1021/acsaem.3c02519 external_id: isi: - '001138342900001' intvolume: ' 7' isi: 1 issue: '1' keyword: - Electrical and Electronic Engineering - Materials Chemistry - Electrochemistry - Energy Engineering and Power Technology - Chemical Engineering (miscellaneous) language: - iso: eng month: '01' oa_version: None page: 214-229 publication: ACS Applied Energy Materials publication_identifier: issn: - 2574-0962 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 7 year: '2024' ... --- _id: '15114' 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. 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). article_number: '119959' article_processing_charge: No article_type: original author: - first_name: Zihao full_name: Yao, Zihao last_name: Yao - first_name: Xu full_name: Liu, Xu last_name: Liu - first_name: Rhys full_name: Bunting, Rhys id: 91deeae8-1207-11ec-b130-c194ad5b50c6 last_name: Bunting orcid: 0000-0001-6928-074X - first_name: Jianguo full_name: Wang, Jianguo last_name: Wang citation: 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' 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' 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.' 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.' 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). date_created: 2024-03-17T23:00:57Z date_published: 2024-03-04T00:00:00Z date_updated: 2024-03-19T08:47:42Z day: '04' department: - _id: MaIb doi: 10.1016/j.ces.2024.119959 intvolume: ' 291' language: - iso: eng month: '03' oa_version: None publication: Chemical Engineering Science publication_identifier: issn: - 0009-2509 publication_status: epub_ahead publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: 'Unravelling the reaction mechanism for H2 production via formic acid decomposition over Pd: Coverage-dependent microkinetic modeling' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 291 year: '2024' ... --- _id: '15182' abstract: - lang: eng 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. acknowledged_ssus: - _id: EM-Fac - _id: LifeSc - _id: NanoFab 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. article_number: '2400408' article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Francesco full_name: Milillo, Francesco id: 38b830db-ea88-11ee-bf9b-929beaf79054 last_name: Milillo - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini orcid: 0000-0003-4566-5877 - first_name: Christine full_name: Fiedler, Christine id: bd3fceba-dc74-11ea-a0a7-c17f71817366 last_name: Fiedler - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Daniel full_name: Balazs, Daniel id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E last_name: Balazs orcid: 0000-0001-7597-043X - first_name: Marissa J. full_name: Strumolo, Marissa J. last_name: Strumolo - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Michael full_name: Tkadletz, Michael last_name: Tkadletz - first_name: Richard L. full_name: Brutchey, Richard L. last_name: Brutchey - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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' 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' 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.' 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.' 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.' 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). date_created: 2024-03-25T08:57:40Z date_published: 2024-03-13T00:00:00Z date_updated: 2024-03-25T09:21:05Z day: '13' department: - _id: MaIb - _id: LifeSc doi: 10.1002/aenm.202400408 language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/aenm.202400408 month: '03' oa: 1 oa_version: Published Version project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Advanced Energy Materials publication_identifier: eissn: - 1614-6840 issn: - 1614-6832 publication_status: epub_ahead publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: 'A route to high thermoelectric performance: Solution‐based control of microstructure and composition in Ag2Se' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2024' ... --- _id: '15166' abstract: - lang: eng text: Reducing defects boosts room-temperature performance of a thermoelectric device acknowledgement: The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support. article_processing_charge: No article_type: letter_note author: - first_name: Navita full_name: Navita, Navita id: 6ebe278d-ba0b-11ee-8184-f34cdc671de4 last_name: Navita - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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 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. 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. ista: Jakhar N, Ibáñez M. 2024. Electron highways are cooler. Science. 383(6688), 1184. 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. short: N. Jakhar, M. Ibáñez, Science 383 (2024) 1184. date_created: 2024-03-24T23:00:58Z date_published: 2024-03-14T00:00:00Z date_updated: 2024-03-25T10:31:20Z day: '14' department: - _id: MaIb doi: 10.1126/science.ado4077 intvolume: ' 383' issue: '6688' language: - iso: eng month: '03' oa_version: None page: '1184' project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Science publication_identifier: eissn: - 1095-9203 issn: - 0036-8075 publication_status: published publisher: American Association for the Advancement of Science quality_controlled: '1' scopus_import: '1' status: public title: Electron highways are cooler type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 383 year: '2024' ... --- _id: '12832' abstract: - lang: eng 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. acknowledged_ssus: - _id: EM-Fac 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).' article_processing_charge: No article_type: original author: - first_name: Ren full_name: He, Ren last_name: He - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Xiang full_name: Wang, Xiang last_name: Wang - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Lingxiao full_name: Li, Lingxiao last_name: Li - first_name: Zhifu full_name: Liang, Zhifu last_name: Liang - first_name: Jingwei full_name: Chen, Jingwei last_name: Chen - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Ahmad full_name: Ostovari Moghaddam, Ahmad last_name: Ostovari Moghaddam - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Ying full_name: Xu, Ying last_name: Xu - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. date_created: 2023-04-16T22:01:07Z date_published: 2023-04-01T00:00:00Z date_updated: 2023-08-01T14:08:02Z day: '01' department: - _id: MaIb doi: 10.1016/j.ensm.2023.03.022 external_id: isi: - '000967601700001' intvolume: ' 58' isi: 1 issue: '4' language: - iso: eng month: '04' oa_version: None page: 287-298 project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Energy Storage Materials publication_identifier: eissn: - 2405-8297 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air battery performance type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 58 year: '2023' ... --- _id: '13092' 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. 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. article_processing_charge: No article_type: original author: - first_name: Bingfei full_name: Nan, Bingfei last_name: 'Nan' - first_name: Xuan full_name: Song, Xuan last_name: Song - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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. date_created: 2023-05-28T22:01:03Z date_published: 2023-05-04T00:00:00Z date_updated: 2023-08-01T14:50:09Z day: '04' ddc: - '540' department: - _id: MaIb doi: 10.1021/acsami.3c00625 external_id: isi: - '000985497900001' pmid: - '37141543' file: - access_level: open_access checksum: 23893be46763c4c78daacddd019de821 content_type: application/pdf creator: dernst date_created: 2023-05-30T07:38:44Z date_updated: 2023-05-30T07:38:44Z file_id: '13099' file_name: 2023_ACSAppliedMaterials_Nan.pdf file_size: 5640829 relation: main_file success: 1 file_date_updated: 2023-05-30T07:38:44Z has_accepted_license: '1' intvolume: ' 15' isi: 1 issue: '19' language: - iso: eng license: https://creativecommons.org/licenses/by/4.0/ month: '05' oa: 1 oa_version: Published Version page: 23380–23389 pmid: 1 project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: ACS Applied Materials and Interfaces publication_identifier: eissn: - 1944-8252 issn: - 1944-8244 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Bottom-up synthesis of SnTe-based thermoelectric composites tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 15 year: '2023' ... --- _id: '13093' abstract: - lang: eng 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. 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.' article_processing_charge: No article_type: original author: - first_name: Bingfei full_name: Nan, Bingfei last_name: 'Nan' - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. 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). date_created: 2023-05-28T22:01:03Z date_published: 2023-05-05T00:00:00Z date_updated: 2023-08-01T14:50:48Z day: '05' department: - _id: MaIb doi: 10.1021/acsaelm.3c00055 external_id: isi: - '000986859000001' isi: 1 language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acsaelm.3c00055 month: '05' oa: 1 oa_version: Published Version project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: ACS Applied Electronic Materials publication_identifier: eissn: - 2637-6113 publication_status: epub_ahead publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Engineering of thermoelectric composites based on silver selenide in aqueous solution and ambient temperature type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 year: '2023' ... --- _id: '13235' 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. 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. article_processing_charge: No article_type: original author: - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Mingquan full_name: Li, Mingquan last_name: Li - first_name: Shanhong full_name: Wan, Shanhong last_name: Wan - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Min full_name: Hong, Min last_name: Hong - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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' 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' 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.' 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.' 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.' 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. date_created: 2023-07-16T22:01:11Z date_published: 2023-06-13T00:00:00Z date_updated: 2023-08-02T06:29:55Z day: '13' department: - _id: MaIb doi: 10.1021/acsnano.3c03541 external_id: isi: - '001008564800001' pmid: - '37310395' intvolume: ' 17' isi: 1 issue: '12' language: - iso: eng month: '06' oa_version: None page: 11923–11934 pmid: 1 project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance' type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 17 year: '2023' ... --- _id: '12885' abstract: - lang: eng 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. ' acknowledged_ssus: - _id: EM-Fac - _id: NanoFab alternative_title: - ISTA Thesis article_processing_charge: No author: - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini orcid: 0000-0003-4566-5877 citation: 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' 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.' ieee: 'M. Calcabrini, “Nanoparticle-based semiconductor solids: From synthesis to consolidation,” Institute of Science and Technology Austria, 2023.' ista: 'Calcabrini M. 2023. Nanoparticle-based semiconductor solids: From synthesis to consolidation. Institute of Science and Technology Austria.' mla: 'Calcabrini, Mariano. Nanoparticle-Based Semiconductor Solids: From Synthesis to Consolidation. Institute of Science and Technology Austria, 2023, doi:10.15479/at:ista:12885.' short: 'M. Calcabrini, Nanoparticle-Based Semiconductor Solids: From Synthesis to Consolidation, Institute of Science and Technology Austria, 2023.' date_created: 2023-05-02T07:58:57Z date_published: 2023-04-28T00:00:00Z date_updated: 2023-08-14T07:25:26Z day: '28' ddc: - '546' - '541' degree_awarded: PhD department: - _id: GradSch - _id: MaIb doi: 10.15479/at:ista:12885 ec_funded: 1 file: - access_level: closed checksum: 9347b0e09425f56fdcede5d3528404dc content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document creator: mcalcabr date_created: 2023-05-02T07:43:18Z date_updated: 2023-05-02T07:43:18Z file_id: '12887' file_name: Thesis_Calcabrini.docx file_size: 99627036 relation: source_file - access_level: open_access checksum: 2d188b76621086cd384f0b9264b0a576 content_type: application/pdf creator: mcalcabr date_created: 2023-05-02T07:42:45Z date_updated: 2023-05-02T07:42:45Z file_id: '12888' file_name: Thesis_Calcabrini_pdfa.pdf file_size: 8742220 relation: main_file success: 1 file_date_updated: 2023-05-02T07:43:18Z has_accepted_license: '1' language: - iso: eng month: '04' oa: 1 oa_version: Published Version page: '82' project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program publication_identifier: isbn: - 978-3-99078-028-2 issn: - 2663-337X publication_status: published publisher: Institute of Science and Technology Austria related_material: record: - id: '10806' relation: part_of_dissertation status: public - id: '10042' relation: part_of_dissertation status: public - id: '12237' relation: part_of_dissertation status: public - id: '9118' relation: part_of_dissertation status: public - id: '10123' relation: part_of_dissertation status: public status: public supervisor: - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 title: 'Nanoparticle-based semiconductor solids: From synthesis to consolidation' type: dissertation user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9 year: '2023' ... --- _id: '12113' 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. 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). article_number: '156101' article_processing_charge: No article_type: original author: - first_name: Li full_name: Zhang, Li last_name: Zhang - first_name: Xingyu full_name: Liu, Xingyu last_name: Liu - first_name: Ting full_name: Wu, Ting last_name: Wu - first_name: Shengduo full_name: Xu, Shengduo id: 12ab8624-4c8a-11ec-9e11-e1ac2438f22f last_name: Xu - first_name: Guoquan full_name: Suo, Guoquan last_name: Suo - first_name: Xiaohui full_name: Ye, Xiaohui last_name: Ye - first_name: Xiaojiang full_name: Hou, Xiaojiang last_name: Hou - first_name: Yanling full_name: Yang, Yanling last_name: Yang - first_name: Qingfeng full_name: Liu, Qingfeng last_name: Liu - first_name: Hongqiang full_name: Wang, Hongqiang last_name: Wang citation: 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 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. 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. 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. 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). date_created: 2023-01-12T11:55:02Z date_published: 2023-03-15T00:00:00Z date_updated: 2023-08-14T11:47:06Z day: '15' department: - _id: MaIb doi: 10.1016/j.apsusc.2022.156101 external_id: isi: - '000911497000001' intvolume: ' 613' isi: 1 keyword: - Surfaces - Coatings and Films - Condensed Matter Physics - Surfaces and Interfaces - General Physics and Astronomy - General Chemistry language: - iso: eng month: '03' oa_version: None publication: Applied Surface Science publication_identifier: issn: - 0169-4332 publication_status: epub_ahead publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 613 year: '2023' ... --- _id: '12331' abstract: - lang: eng 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. 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). article_processing_charge: No article_type: original author: - first_name: Siqi full_name: Wang, Siqi last_name: Wang - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Shulin full_name: Bai, Shulin last_name: Bai - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Yingcai full_name: Zhu, Yingcai last_name: Zhu - first_name: Shaoping full_name: Zhan, Shaoping last_name: Zhan - first_name: Junqing full_name: Zheng, Junqing last_name: Zheng - first_name: Shuwei full_name: Tang, Shuwei last_name: Tang - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao citation: 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 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. 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. 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. 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. 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. date_created: 2023-01-22T23:00:55Z date_published: 2023-01-24T00:00:00Z date_updated: 2023-08-14T12:57:44Z day: '24' ddc: - '540' department: - _id: MaIb doi: 10.1021/acs.chemmater.2c03542 external_id: isi: - '000914749700001' file: - access_level: open_access checksum: b21dca2aa7a80c068bc256bdd1fea9df content_type: application/pdf creator: dernst date_created: 2023-08-14T12:57:25Z date_updated: 2023-08-14T12:57:25Z file_id: '14055' file_name: 2023_ChemistryMaterials_Wang.pdf file_size: 2961043 relation: main_file success: 1 file_date_updated: 2023-08-14T12:57:25Z has_accepted_license: '1' intvolume: ' 35' isi: 1 issue: '2' language: - iso: eng month: '01' oa: 1 oa_version: Published Version page: 755-763 project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: Chemistry of Materials publication_identifier: eissn: - 1520-5002 issn: - 0897-4756 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Fine tuning of defects enables high carrier mobility and enhanced thermoelectric performance of n-type PbTe tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 35 year: '2023' ... --- _id: '12915' abstract: - lang: eng 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. 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).' article_processing_charge: No article_type: original author: - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Bingfei full_name: Nan, Bingfei last_name: 'Nan' - first_name: Maria Garcia full_name: Ramon, Maria Garcia id: 1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9 last_name: Ramon - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Bed full_name: Poudel, Bed last_name: Poudel - first_name: Amin full_name: Nozariasbmarz, Amin last_name: Nozariasbmarz - first_name: Wenjie full_name: Li, Wenjie last_name: Li - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. date_created: 2023-05-07T22:01:04Z date_published: 2023-05-09T00:00:00Z date_updated: 2023-10-04T11:29:22Z day: '09' department: - _id: MaIb doi: 10.1021/acsnano.3c00495 external_id: isi: - '000976063200001' pmid: - '37071412' intvolume: ' 17' isi: 1 issue: '9' language: - iso: eng month: '05' oa_version: None page: 8442-8452 pmid: 1 publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 17 year: '2023' ... --- _id: '12829' 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. 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.' article_number: '117369' article_processing_charge: No article_type: original author: - first_name: Guillem full_name: Montaña-Mora, Guillem last_name: Montaña-Mora - first_name: Xueqiang full_name: Qi, Xueqiang last_name: Qi - first_name: Xiang full_name: Wang, Xiang last_name: Wang - first_name: Jesus full_name: Chacón-Borrero, Jesus last_name: Chacón-Borrero - first_name: Paulina R. full_name: Martinez-Alanis, Paulina R. last_name: Martinez-Alanis - first_name: Xiaoting full_name: Yu, Xiaoting last_name: Yu - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Qian full_name: Xue, Qian last_name: Xue - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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). date_created: 2023-04-16T22:01:06Z date_published: 2023-05-01T00:00:00Z date_updated: 2023-10-04T11:52:33Z day: '01' department: - _id: MaIb doi: 10.1016/j.jelechem.2023.117369 external_id: isi: - '000967060900001' intvolume: ' 936' isi: 1 language: - iso: eng month: '05' oa_version: None project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Journal of Electroanalytical Chemistry publication_identifier: issn: - 1572-6657 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Phosphorous incorporation into palladium tin nanoparticles for the electrocatalytic formate oxidation reaction type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 936 year: '2023' ... --- _id: '14404' abstract: - lang: eng text: A light-triggered fabrication method extends the functionality of printable nanomaterials acknowledgement: The authors thank the Werner-Siemens-Stiftung and the Institute of Science and Technology Austria for financial support. article_processing_charge: No article_type: letter_note author: - first_name: Daniel full_name: Balazs, Daniel id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E last_name: Balazs orcid: 0000-0001-7597-043X - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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. ieee: D. Balazs and M. Ibáñez, “Widening the use of 3D printing,” Science, vol. 381, no. 6665. AAAS, pp. 1413–1414, 2023. ista: Balazs D, Ibáñez M. 2023. Widening the use of 3D printing. Science. 381(6665), 1413–1414. 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. short: D. Balazs, M. Ibáñez, Science 381 (2023) 1413–1414. date_created: 2023-10-08T22:01:16Z date_published: 2023-09-29T00:00:00Z date_updated: 2023-10-09T07:32:58Z day: '29' department: - _id: MaIb - _id: LifeSc doi: 10.1126/science.adk3070 external_id: pmid: - '37769110' intvolume: ' 381' issue: '6665' language: - iso: eng month: '09' oa_version: None page: 1413-1414 pmid: 1 project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Science publication_identifier: eissn: - 1095-9203 publication_status: published publisher: AAAS quality_controlled: '1' scopus_import: '1' status: public title: Widening the use of 3D printing type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 381 year: '2023' ... --- _id: '13216' 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. 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." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Rhys full_name: Bunting, Rhys id: 91deeae8-1207-11ec-b130-c194ad5b50c6 last_name: Bunting orcid: 0000-0001-6928-074X - first_name: Felix full_name: Wodaczek, Felix id: 8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e last_name: Wodaczek orcid: 0009-0000-1457-795X - first_name: Tina full_name: Torabi, Tina last_name: Torabi - first_name: Bingqing full_name: Cheng, Bingqing id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9 last_name: Cheng orcid: 0000-0002-3584-9632 citation: 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' 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.' 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.' 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.' 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.' short: R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902. date_created: 2023-07-12T09:16:40Z date_published: 2023-06-30T00:00:00Z date_updated: 2023-10-11T08:45:10Z day: '30' ddc: - '540' department: - _id: MaIb - _id: BiCh doi: 10.1021/jacs.3c04030 external_id: isi: - '001020623900001' pmid: - '37390457' file: - access_level: open_access checksum: e07d5323f9c0e5cbd1ad6453f29440ab content_type: application/pdf creator: cchlebak date_created: 2023-07-12T10:22:04Z date_updated: 2023-07-12T10:22:04Z file_id: '13219' file_name: 2023_JACS_Bunting.pdf file_size: 3155843 relation: main_file success: 1 file_date_updated: 2023-07-12T10:22:04Z has_accepted_license: '1' intvolume: ' 145' isi: 1 issue: '27' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa: 1 oa_version: Published Version page: 14894-14902 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: 'Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9 volume: 145 year: '2023' ... --- _id: '14663' abstract: - lang: eng 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. 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). article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Jinyan full_name: Zhao, Jinyan last_name: Zhao - first_name: Zihao full_name: Yao, Zihao last_name: Yao - first_name: Rhys full_name: Bunting, Rhys id: 91deeae8-1207-11ec-b130-c194ad5b50c6 last_name: Bunting orcid: 0000-0001-6928-074X - first_name: P. full_name: Hu, P. last_name: Hu - first_name: Jianguo full_name: Wang, Jianguo last_name: Wang citation: 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 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. 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. 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. short: J. Zhao, Z. Yao, R. Bunting, P. Hu, J. Wang, ACS Catalysis 13 (2023) 15054–15073. date_created: 2023-12-10T23:00:59Z date_published: 2023-11-06T00:00:00Z date_updated: 2023-12-11T11:55:35Z day: '06' ddc: - '540' department: - _id: MaIb doi: 10.1021/acscatal.3c03893 file: - access_level: open_access checksum: a97c771077af71ddfb2249e34530895c content_type: application/pdf creator: dernst date_created: 2023-12-11T11:55:09Z date_updated: 2023-12-11T11:55:09Z file_id: '14676' file_name: 2023_ACSCatalysis_.pdf file_size: 14813812 relation: main_file success: 1 file_date_updated: 2023-12-11T11:55:09Z has_accepted_license: '1' intvolume: ' 13' issue: '22' language: - iso: eng month: '11' oa: 1 oa_version: Published Version page: 15054-15073 publication: ACS Catalysis publication_identifier: eissn: - 2155-5435 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Microkinetic modeling with size-dependent and adsorbate-adsorbate interactions for the direct synthesis of H₂O₂ over Pd nanoparticles tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 13 year: '2023' ... --- _id: '14652' abstract: - lang: eng 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. article_number: '415539' article_processing_charge: No article_type: original author: - first_name: Shyam Lal full_name: Gupta, Shyam Lal last_name: Gupta - first_name: Saurabh full_name: Singh, Saurabh id: 12d625da-9cb3-11ed-9667-af09d37d3f0a last_name: Singh orcid: 0000-0003-2209-5269 - 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 - first_name: Sanjay full_name: Panwar, Sanjay last_name: Panwar - first_name: D. full_name: Diwaker, D. last_name: Diwaker citation: 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' 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' 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.' 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.' 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.' 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.' 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).' date_created: 2023-12-10T23:00:56Z date_published: 2023-11-28T00:00:00Z date_updated: 2023-12-12T08:22:23Z day: '28' department: - _id: MaIb doi: 10.1016/j.physb.2023.415539 intvolume: ' 674' language: - iso: eng month: '11' oa_version: None publication: 'Physica B: Condensed Matter' publication_identifier: issn: - 0921-4526 publication_status: epub_ahead publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Ab-initio stability of Iridium based newly proposed full and quaternary heusler alloys type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 674 year: '2023' ... --- _id: '13968' abstract: - lang: eng 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. acknowledged_ssus: - _id: EM-Fac 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." article_number: '1202132' article_processing_charge: Yes article_type: original author: - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Marie Helene full_name: Steger-Polt, Marie Helene last_name: Steger-Polt - first_name: Ciril full_name: Reiner-Rozman, Ciril last_name: Reiner-Rozman - first_name: Stefan full_name: Fossati, Stefan last_name: Fossati - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Patrik full_name: Aspermair, Patrik last_name: Aspermair - first_name: Christoph full_name: Kleber, Christoph last_name: Kleber - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Jakub full_name: Dostalek, Jakub last_name: Dostalek - first_name: Wolfgang full_name: Knoll, Wolfgang last_name: Knoll citation: 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' 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' 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.' 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.' 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.' 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.' 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). date_created: 2023-08-06T22:01:11Z date_published: 2023-07-14T00:00:00Z date_updated: 2023-12-13T12:04:10Z day: '14' ddc: - '530' department: - _id: MaIb doi: 10.3389/fphy.2023.1202132 external_id: isi: - '001038636400001' file: - access_level: open_access checksum: fb36dda665e57bab006a000bf0faacd5 content_type: application/pdf creator: dernst date_created: 2023-08-07T07:48:11Z date_updated: 2023-08-07T07:48:11Z file_id: '13978' file_name: 2023_FrontiersPhysics_Hasler.pdf file_size: 2421758 relation: main_file success: 1 file_date_updated: 2023-08-07T07:48:11Z has_accepted_license: '1' intvolume: ' 11' isi: 1 language: - iso: eng month: '07' oa: 1 oa_version: Published Version publication: Frontiers in Physics publication_identifier: eissn: - 2296-424X publication_status: published publisher: Frontiers quality_controlled: '1' scopus_import: '1' status: public title: 'Optical and electronic signal stabilization of plasmonic fiber optic gate electrodes: Towards improved real-time dual-mode biosensing' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 11 year: '2023' ... --- _id: '14434' 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 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. article_number: '2303719' article_processing_charge: No article_type: original author: - first_name: Ren full_name: He, Ren last_name: He - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Daochuan full_name: Jiang, Daochuan last_name: Jiang - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Zhifu full_name: Liang, Zhifu last_name: Liang - first_name: Xuan full_name: Lu, Xuan last_name: Lu - first_name: Ahmad full_name: Ostovari Moghaddam, Ahmad last_name: Ostovari Moghaddam - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Ying full_name: Xu, Ying last_name: Xu - first_name: Yingtang full_name: Zhou, Yingtang last_name: Zhou - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. 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). date_created: 2023-10-17T10:52:23Z date_published: 2023-07-24T00:00:00Z date_updated: 2023-12-13T13:03:23Z day: '24' department: - _id: MaIb doi: 10.1002/adma.202303719 external_id: isi: - '001083876900001' pmid: - '37487245' isi: 1 keyword: - Mechanical Engineering - Mechanics of Materials - General Materials Science language: - iso: eng month: '07' oa_version: None pmid: 1 project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Advanced Materials publication_identifier: issn: - 0935-9648 - 1521-4095 publication_status: epub_ahead publisher: Wiley quality_controlled: '1' status: public title: A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2023' ... --- _id: '14435' abstract: - lang: eng 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. article_number: '2305128' article_processing_charge: No article_type: original author: - first_name: Guifang full_name: Zeng, Guifang last_name: Zeng - first_name: Qing full_name: Sun, Qing last_name: Sun - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Shang full_name: Wang, Shang last_name: Wang - first_name: Xuan full_name: Lu, Xuan last_name: Lu - first_name: Chaoyue full_name: Zhang, Chaoyue last_name: Zhang - first_name: Jing full_name: Li, Jing last_name: Li - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Lijie full_name: Ci, Lijie last_name: Ci - first_name: Yanhong full_name: Tian, Yanhong last_name: Tian - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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' 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.' 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.' 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.' 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.). date_created: 2023-10-17T10:53:56Z date_published: 2023-08-09T00:00:00Z date_updated: 2023-12-13T13:03:53Z day: '09' department: - _id: MaIb doi: 10.1002/adma.202305128 external_id: isi: - '001085681000001' pmid: - '37555532' isi: 1 keyword: - Mechanical Engineering - Mechanics of Materials - General Materials Science language: - iso: eng month: '08' oa_version: None pmid: 1 publication: Advanced Materials publication_identifier: eissn: - 1521-4095 issn: - 0935-9648 publication_status: accepted publisher: Wiley quality_controlled: '1' status: public title: 'A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2023' ... --- _id: '14719' 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. acknowledged_ssus: - _id: EM-Fac - _id: NanoFab 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). article_processing_charge: No article_type: original author: - first_name: Hamid full_name: Mollania, Hamid last_name: Mollania - first_name: Chaoqi full_name: Zhang, Chaoqi last_name: Zhang - first_name: Ruifeng full_name: Du, Ruifeng last_name: Du - first_name: Xueqiang full_name: Qi, Xueqiang last_name: Qi - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Caroline full_name: Keller, Caroline last_name: Keller - first_name: Pascale full_name: Chenevier, Pascale last_name: Chenevier - first_name: Majid full_name: Oloomi-Buygi, Majid last_name: Oloomi-Buygi - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. 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. date_created: 2023-12-31T23:01:03Z date_published: 2023-12-05T00:00:00Z date_updated: 2024-01-02T08:35:06Z day: '05' department: - _id: MaIb doi: 10.1021/acsami.3c14072 intvolume: ' 15' issue: '50' language: - iso: eng month: '12' oa_version: None page: 58462–58475 publication: ACS Applied Materials and Interfaces publication_identifier: eissn: - 1944-8252 issn: - 1944-8244 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Nanostructured Li₂S cathodes for silicon-sulfur batteries type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 15 year: '2023' ... --- _id: '14734' 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. article_processing_charge: No article_type: original author: - first_name: Shanhong full_name: Wan, Shanhong last_name: Wan - first_name: Shanshan full_name: Xiao, Shanshan last_name: Xiao - first_name: Mingquan full_name: Li, Mingquan last_name: Li - first_name: Xin full_name: Wang, Xin last_name: Wang - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Min full_name: Hong, Min last_name: Hong - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 citation: 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 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 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. ieee: S. Wan et al., “Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4,” Small Methods. Wiley, 2023. 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. 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. short: S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot, Y. Liu, Small Methods (2023). date_created: 2024-01-07T23:00:51Z date_published: 2023-12-28T00:00:00Z date_updated: 2024-01-08T09:17:04Z day: '28' department: - _id: MaIb doi: 10.1002/smtd.202301377 external_id: pmid: - '38152986' language: - iso: eng month: '12' oa_version: None pmid: 1 project: - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Small Methods publication_identifier: eissn: - 2366-9608 publication_status: epub_ahead publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4 type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2023' ... --- _id: '14777' abstract: - lang: eng 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. 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). article_number: '125206' article_processing_charge: Yes article_type: original author: - first_name: Kosuke full_name: Sato, Kosuke last_name: Sato - first_name: Saurabh full_name: Singh, Saurabh id: 12d625da-9cb3-11ed-9667-af09d37d3f0a last_name: Singh orcid: 0000-0003-2209-5269 - first_name: Itsuki full_name: Yamazaki, Itsuki last_name: Yamazaki - first_name: Keisuke full_name: Hirata, Keisuke last_name: Hirata - first_name: Artoni Kevin R. full_name: Ang, Artoni Kevin R. last_name: Ang - first_name: Masaharu full_name: Matsunami, Masaharu last_name: Matsunami - first_name: Tsunehiro full_name: Takeuchi, Tsunehiro last_name: Takeuchi citation: 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 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 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. 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. 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). date_created: 2024-01-10T09:26:08Z date_published: 2023-12-01T00:00:00Z date_updated: 2024-01-10T13:49:09Z day: '01' ddc: - '540' department: - _id: MaIb doi: 10.1063/5.0171888 external_id: isi: - '001114917200005' file: - access_level: open_access checksum: a7098388b8ff822b47f5ddd37ed3bdbc content_type: application/pdf creator: dernst date_created: 2024-01-10T13:47:31Z date_updated: 2024-01-10T13:47:31Z file_id: '14792' file_name: 2023_AIPAdvances_Sato.pdf file_size: 9676071 relation: main_file success: 1 file_date_updated: 2024-01-10T13:47:31Z has_accepted_license: '1' intvolume: ' 13' isi: 1 issue: '12' keyword: - General Physics and Astronomy language: - iso: eng month: '12' oa: 1 oa_version: Published Version publication: AIP Advances publication_identifier: eissn: - 2158-3226 publication_status: published publisher: AIP Publishing quality_controlled: '1' status: public title: Improvement of thermoelectric performance of flexible compound Ag2S0.55Se0.45 by means of partial V-substitution for Ag tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 13 year: '2023' ... --- _id: '14379' 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. acknowledgement: This work was supported by 2023 Yeungnam University Research Grant. article_number: '117463' article_processing_charge: No article_type: original author: - first_name: Neelima full_name: Mahato, Neelima last_name: Mahato - first_name: Saurabh full_name: Singh, Saurabh id: 12d625da-9cb3-11ed-9667-af09d37d3f0a last_name: Singh orcid: 0000-0003-2209-5269 - first_name: Mohammad full_name: Faisal, Mohammad last_name: Faisal - first_name: T. V.M. full_name: Sreekanth, T. V.M. last_name: Sreekanth - first_name: Sutripto full_name: Majumder, Sutripto last_name: Majumder - first_name: Kisoo full_name: Yoo, Kisoo last_name: Yoo - first_name: Jonghoon full_name: Kim, Jonghoon last_name: Kim citation: 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 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. 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. 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). date_created: 2023-10-01T22:01:13Z date_published: 2023-11-01T00:00:00Z date_updated: 2024-01-30T13:55:50Z day: '01' department: - _id: MaIb doi: 10.1016/j.synthmet.2023.117463 external_id: isi: - '001083568900001' intvolume: ' 299' isi: 1 language: - iso: eng month: '11' oa_version: None publication: Synthetic Metals publication_identifier: issn: - 0379-6779 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Polycrystalline phases grown in-situ engendering unique mechanism of charge storage in polyaniline-graphite composite type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 299 year: '2023' ... --- _id: '14985' abstract: - lang: eng 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. 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.' article_processing_charge: Yes article_type: original author: - first_name: Zhengtao full_name: Liu, Zhengtao last_name: Liu - first_name: Tao full_name: Hong, Tao last_name: Hong - first_name: Liqing full_name: Xu, Liqing last_name: Xu - first_name: Sining full_name: Wang, Sining last_name: Wang - first_name: Xiang full_name: Gao, Xiang last_name: Gao - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Xiangdong full_name: Ding, Xiangdong last_name: Ding - first_name: Yu full_name: Xiao, Yu last_name: Xiao - first_name: Li‐Dong full_name: Zhao, Li‐Dong last_name: Zhao citation: 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 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. 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. 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. 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. 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. date_created: 2024-02-14T12:12:17Z date_published: 2023-01-01T00:00:00Z date_updated: 2024-02-19T10:01:26Z day: '01' ddc: - '540' department: - _id: MaIb doi: 10.1002/idm2.12056 file: - access_level: open_access checksum: 7b5e8210ef1434feb173022c6dbbee0c content_type: application/pdf creator: dernst date_created: 2024-02-19T09:58:32Z date_updated: 2024-02-19T09:58:32Z file_id: '15015' file_name: 2023_InterdiscMaterials_Liu.pdf file_size: 4675941 relation: main_file success: 1 file_date_updated: 2024-02-19T09:58:32Z has_accepted_license: '1' intvolume: ' 2' issue: '1' language: - iso: eng month: '01' oa: 1 oa_version: Published Version page: 161-170 publication: Interdisciplinary Materials publication_identifier: eissn: - 2767-441X publication_status: published publisher: Wiley quality_controlled: '1' status: public title: Lattice expansion enables interstitial doping to achieve a high average ZT in n‐type PbS tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 2 year: '2023' ... --- _id: '10587' 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. 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. article_processing_charge: No article_type: original author: - first_name: Daniel full_name: Balazs, Daniel id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E last_name: Balazs orcid: 0000-0001-7597-043X - first_name: N. Deniz full_name: Erkan, N. Deniz last_name: Erkan - first_name: Michelle full_name: Quien, Michelle last_name: Quien - first_name: Tobias full_name: Hanrath, Tobias last_name: Hanrath citation: 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 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. 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. ista: Balazs D, Erkan ND, Quien M, Hanrath T. 2022. Inkjet printing of epitaxially connected nanocrystal superlattices. Nano Research. 15(5), 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. short: D. Balazs, N.D. Erkan, M. Quien, T. Hanrath, Nano Research 15 (2022) 4536–4543. date_created: 2022-01-02T23:01:34Z date_published: 2022-05-01T00:00:00Z date_updated: 2023-08-02T13:47:21Z day: '01' department: - _id: MaIb doi: 10.1007/s12274-021-4022-7 external_id: isi: - '000735340300001' intvolume: ' 15' isi: 1 issue: '5' keyword: - interfacial assembly - colloidal nanocrystal - superlattice - inkjet printing language: - iso: eng main_file_link: - open_access: '1' url: https://www.osti.gov/biblio/1837946 month: '05' oa: 1 oa_version: Submitted Version page: 4536–4543 publication: Nano Research publication_identifier: eissn: - 1998-0000 issn: - 1998-0124 publication_status: published publisher: Springer Nature quality_controlled: '1' scopus_import: '1' status: public title: Inkjet printing of epitaxially connected nanocrystal superlattices type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 15 year: '2022' ... --- _id: '10042' 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. 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.' article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini - first_name: Yuan full_name: Yu, Yuan last_name: Yu - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Jérémy full_name: David, Jérémy last_name: David - first_name: Tanmoy full_name: Ghosh, Tanmoy id: a5fc9bc3-feff-11ea-93fe-e8015a3c7e9d last_name: Ghosh - first_name: Maria Chiara full_name: Spadaro, Maria Chiara last_name: Spadaro - first_name: Chenyang full_name: Xie, Chenyang last_name: Xie - first_name: Oana full_name: Cojocaru-Mirédin, Oana last_name: Cojocaru-Mirédin - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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. 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. 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. 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. 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. date_created: 2021-09-24T07:55:12Z date_published: 2022-01-25T00:00:00Z date_updated: 2023-08-02T14:41:05Z day: '25' ddc: - '540' department: - _id: MaIb doi: 10.1021/acsnano.1c06720 ec_funded: 1 external_id: isi: - '000767223400008' pmid: - '34549956' file: - access_level: open_access checksum: 74f9c1aa5f95c0b992a4328e8e0247b4 content_type: application/pdf creator: cchlebak date_created: 2022-03-02T16:17:29Z date_updated: 2022-03-02T16:17:29Z file_id: '10808' file_name: 2022_ACSNano_Liu.pdf file_size: 9050764 relation: main_file success: 1 file_date_updated: 2022-03-02T16:17:29Z has_accepted_license: '1' intvolume: ' 16' isi: 1 issue: '1' keyword: - tin selenide - nanocomposite - grain growth - Zener pinning - thermoelectricity - annealing - solution processing language: - iso: eng month: '01' oa: 1 oa_version: Published Version page: 78-88 pmid: 1 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: 'American Chemical Society ' quality_controlled: '1' related_material: record: - id: '12885' relation: dissertation_contains status: public scopus_import: '1' status: public title: Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 16 year: '2022' ... --- _id: '10829' abstract: - lang: eng 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. 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)" article_processing_charge: No article_type: original author: - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Ciril full_name: Reiner-Rozman, Ciril last_name: Reiner-Rozman - first_name: Stefan full_name: Fossati, Stefan last_name: Fossati - first_name: Patrik full_name: Aspermair, Patrik last_name: Aspermair - first_name: Jakub full_name: Dostalek, Jakub last_name: Dostalek - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Johannes full_name: Bintinger, Johannes last_name: Bintinger - first_name: Wolfgang full_name: Knoll, Wolfgang last_name: Knoll citation: 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 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 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. 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. 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. 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. 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. date_created: 2022-03-06T23:01:54Z date_published: 2022-02-08T00:00:00Z date_updated: 2023-08-02T14:46:17Z day: '08' ddc: - '540' department: - _id: MaIb doi: 10.1021/acssensors.1c02313 external_id: isi: - '000765113000016' file: - access_level: open_access checksum: d704af7262cd484da9bb84b7d84e2b09 content_type: application/pdf creator: dernst date_created: 2022-03-07T08:15:01Z date_updated: 2022-03-07T08:15:01Z file_id: '10832' file_name: 2022_ACSSensors_Hasler.pdf file_size: 2969415 relation: main_file success: 1 file_date_updated: 2022-03-07T08:15:01Z has_accepted_license: '1' intvolume: ' 7' isi: 1 issue: '2' language: - iso: eng license: https://creativecommons.org/licenses/by-nc-nd/4.0/ month: '02' oa: 1 oa_version: Published Version page: 504-512 publication: ACS Sensors publication_identifier: eissn: - '23793694' publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: record: - id: '10833' relation: research_data status: public scopus_import: '1' status: public title: Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device tmp: image: /images/cc_by_nc_nd.png legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) short: CC BY-NC-ND (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 7 year: '2022' ... --- _id: '10833' abstract: - lang: eng text: Detailed information about the data set see "dataset description.txt" file. article_processing_charge: No author: - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Ciril full_name: Reiner-Rozman, Ciril last_name: Reiner-Rozman - first_name: Stefan full_name: Fossati, Stefan last_name: Fossati - first_name: Patrik full_name: Aspermair, Patrik last_name: Aspermair - first_name: Jakub full_name: Dostalek, Jakub last_name: Dostalek - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Johannes full_name: Bintinger, Johannes last_name: Bintinger - first_name: Wolfgang full_name: Knoll, Wolfgang last_name: Knoll citation: 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 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 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. ieee: R. Hasler et al., “Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device.” Zenodo, 2022. 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. 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. short: R. Hasler, C. Reiner-Rozman, S. Fossati, P. Aspermair, J. Dostalek, S. Lee, M. Ibáñez, J. Bintinger, W. Knoll, (2022). date_created: 2022-03-07T08:19:11Z date_published: 2022-02-08T00:00:00Z date_updated: 2023-08-02T14:46:16Z day: '08' ddc: - '540' department: - _id: MaIb doi: 10.5281/ZENODO.5500360 main_file_link: - open_access: '1' url: https://doi.org/10.5281/zenodo.5500360 month: '02' oa: 1 oa_version: Published Version publisher: Zenodo related_material: record: - id: '10829' relation: used_in_publication status: public status: public title: Field-effect transistor with a plasmonic fiber optic gate electrode as a multivariable biosensor device type: research_data_reference user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf year: '2022' ... --- _id: '11142' 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. 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. article_number: '100985' article_processing_charge: No article_type: original author: - first_name: Tao full_name: Hong, Tao last_name: Hong - first_name: Changrong full_name: Guo, Changrong last_name: Guo - first_name: Dongyang full_name: Wang, Dongyang last_name: Wang - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Xiang full_name: Gao, Xiang last_name: Gao - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao citation: 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 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 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. 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. 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. short: T. Hong, C. Guo, D. Wang, B. Qin, C. Chang, X. Gao, L.D. Zhao, Materials Today Energy 25 (2022). date_created: 2022-04-10T22:01:39Z date_published: 2022-04-01T00:00:00Z date_updated: 2023-08-03T06:28:16Z day: '01' department: - _id: MaIb doi: 10.1016/j.mtener.2022.100985 external_id: isi: - '000798679100010' intvolume: ' 25' isi: 1 language: - iso: eng month: '04' oa_version: None project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: Materials Today Energy publication_identifier: eissn: - 2468-6069 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Enhanced thermoelectric performance in SnTe due to the energy filtering effect introduced by Bi2O3 type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 25 year: '2022' ... --- _id: '11356' 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). article_processing_charge: No article_type: letter_note author: - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Lizhong full_name: Su, Lizhong last_name: Su - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao citation: 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 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. 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. ista: Chang C, Qin B, Su L, Zhao LD. 2022. Distinct electron and hole transports in SnSe crystals. Science Bulletin. 67(11), 1105–1107. 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. short: C. Chang, B. Qin, L. Su, L.D. Zhao, Science Bulletin 67 (2022) 1105–1107. date_created: 2022-05-08T22:01:44Z date_published: 2022-06-15T00:00:00Z date_updated: 2023-08-03T07:04:10Z day: '15' department: - _id: MaIb doi: 10.1016/j.scib.2022.04.007 external_id: isi: - '000835291100006' intvolume: ' 67' isi: 1 issue: '11' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1016/j.scib.2022.04.007 month: '06' oa: 1 oa_version: Published Version page: 1105-1107 project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: Science Bulletin publication_identifier: eissn: - 2095-9281 issn: - 2095-9273 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Distinct electron and hole transports in SnSe crystals type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 67 year: '2022' ... --- _id: '11401' 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. acknowledgement: This work was supported by the National Research Foundation of Korea [NRF-2019R1F1A1058473, NRF-2019R1A6A1A11053838, and NRF-2020K1A4A7A02095438]. article_number: '42' article_processing_charge: No article_type: original author: - first_name: Van Quang full_name: Nguyen, Van Quang last_name: Nguyen - first_name: Thi Ly full_name: Trinh, Thi Ly last_name: Trinh - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao - first_name: Thi Huong full_name: Nguyen, Thi Huong last_name: Nguyen - first_name: Van Thiet full_name: Duong, Van Thiet last_name: Duong - first_name: Anh Tuan full_name: Duong, Anh Tuan last_name: Duong - first_name: Jong Ho full_name: Park, Jong Ho last_name: Park - first_name: Sudong full_name: Park, Sudong last_name: Park - first_name: Jungdae full_name: Kim, Jungdae last_name: Kim - first_name: Sunglae full_name: Cho, Sunglae last_name: Cho citation: 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' 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' 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.' ieee: 'V. Q. Nguyen et al., “Unidentified major p-type source in SnSe: Multivacancies,” NPG Asia Materials, vol. 14. Springer Nature, 2022.' 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.' 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.' 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). date_created: 2022-05-22T22:01:40Z date_published: 2022-05-13T00:00:00Z date_updated: 2023-08-03T07:13:58Z day: '13' ddc: - '540' department: - _id: MaIb doi: 10.1038/s41427-022-00393-5 external_id: isi: - '000794880200001' file: - access_level: open_access checksum: 0579997cc1d28bf66e29357e08e3e39d content_type: application/pdf creator: dernst date_created: 2022-05-23T06:47:57Z date_updated: 2022-05-23T06:47:57Z file_id: '11404' file_name: 2022_NPGAsiaMaterials_Nguyen.pdf file_size: 6202545 relation: main_file success: 1 file_date_updated: 2022-05-23T06:47:57Z has_accepted_license: '1' intvolume: ' 14' isi: 1 language: - iso: eng month: '05' oa: 1 oa_version: Published Version publication: NPG Asia Materials publication_identifier: eissn: - 1884-4057 issn: - 1884-4049 publication_status: published publisher: Springer Nature quality_controlled: '1' scopus_import: '1' status: public title: 'Unidentified major p-type source in SnSe: Multivacancies' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 14 year: '2022' ... --- _id: '11451' 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. 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.' article_number: e202207013 article_processing_charge: No article_type: original author: - first_name: Mahsa full_name: Parvizian, Mahsa last_name: Parvizian - first_name: Alejandra full_name: Duràn Balsa, Alejandra last_name: Duràn Balsa - first_name: Rohan full_name: Pokratath, Rohan last_name: Pokratath - first_name: Curran full_name: Kalha, Curran last_name: Kalha - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Dietger full_name: Van Den Eynden, Dietger last_name: Van Den Eynden - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Anna full_name: Regoutz, Anna last_name: Regoutz - first_name: Jonathan full_name: De Roo, Jonathan last_name: De Roo citation: 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 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 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. ieee: M. Parvizian et al., “The chemistry of Cu₃N and Cu₃PdN nanocrystals,” Angewandte Chemie - International Edition, vol. 61, no. 31. Wiley, 2022. 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. 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. 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). date_created: 2022-06-19T22:01:58Z date_published: 2022-08-01T00:00:00Z date_updated: 2023-08-03T07:19:12Z day: '01' ddc: - '540' department: - _id: MaIb doi: 10.1002/anie.202207013 external_id: isi: - '000811084000001' pmid: - '35612297' file: - access_level: open_access checksum: 2a3ee0bb59e044b808ebe85cd94ac899 content_type: application/pdf creator: dernst date_created: 2022-07-29T09:29:20Z date_updated: 2022-07-29T09:29:20Z file_id: '11696' file_name: 2022_AngewandteChemieInternat_Parvizian.pdf file_size: 1303202 relation: main_file success: 1 file_date_updated: 2022-07-29T09:29:20Z has_accepted_license: '1' intvolume: ' 61' isi: 1 issue: '31' language: - iso: eng month: '08' oa: 1 oa_version: Published Version pmid: 1 publication: Angewandte Chemie - International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' related_material: record: - id: '11695' relation: research_data status: public scopus_import: '1' status: public title: The chemistry of Cu₃N and Cu₃PdN nanocrystals tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 61 year: '2022' ... --- _id: '11695' abstract: - lang: eng text: 'Data underlying the figures in the publication "The chemistry of Cu3N and Cu3PdN nanocrystals" ' article_processing_charge: No author: - first_name: Mahsa full_name: Parvizian, Mahsa last_name: Parvizian - first_name: Alejandra full_name: Duran Balsa, Alejandra last_name: Duran Balsa - first_name: Rohan full_name: Pokratath, Rohan last_name: Pokratath - first_name: Curran full_name: Kalha, Curran last_name: Kalha - first_name: Seungho full_name: Lee, Seungho last_name: Lee - first_name: Dietger full_name: Van den Eynden, Dietger last_name: Van den Eynden - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Anna full_name: Regoutz, Anna last_name: Regoutz - first_name: Jonathan full_name: De Roo, Jonathan last_name: De Roo citation: 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 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 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. ieee: M. Parvizian et al., “Data for ‘The chemistry of Cu3N and Cu3PdN nanocrystals.’” Zenodo, 2022. 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. mla: Parvizian, Mahsa, et al. Data for “The Chemistry of Cu3N and Cu3PdN Nanocrystals.” Zenodo, 2022, doi: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). date_created: 2022-07-29T09:31:13Z date_published: 2022-05-12T00:00:00Z date_updated: 2023-08-03T07:19:12Z day: '12' ddc: - '540' department: - _id: MaIb doi: 10.5281/ZENODO.6542908 main_file_link: - open_access: '1' url: https://doi.org/10.5281/ZENODO.6542908 month: '05' oa: 1 oa_version: Published Version publisher: Zenodo related_material: record: - id: '11451' relation: used_in_publication status: public status: public title: Data for "The chemistry of Cu3N and Cu3PdN nanocrystals" tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: research_data_reference user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf year: '2022' ... --- _id: '11705' abstract: - lang: eng 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.' acknowledged_ssus: - _id: EM-Fac - _id: NanoFab 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. article_number: e202207002 article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Maria full_name: Spadaro, Maria last_name: Spadaro - first_name: Kristopher M. full_name: Koskela, Kristopher M. last_name: Koskela - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Tommaso full_name: Costanzo, Tommaso id: D93824F4-D9BA-11E9-BB12-F207E6697425 last_name: Costanzo orcid: 0000-0001-9732-3815 - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Richard L. full_name: Brutchey, Richard L. last_name: Brutchey - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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' 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' 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.' 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.' 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.' 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). date_created: 2022-07-31T22:01:48Z date_published: 2022-08-26T00:00:00Z date_updated: 2023-08-03T12:23:52Z day: '26' ddc: - '540' department: - _id: MaIb - _id: EM-Fac doi: 10.1002/anie.202207002 ec_funded: 1 external_id: isi: - '000828274200001' file: - access_level: open_access checksum: ad601f2b9e26e46ab4785162be58b5ed content_type: application/pdf creator: dernst date_created: 2023-02-02T08:01:00Z date_updated: 2023-02-02T08:01:00Z file_id: '12476' file_name: 2022_AngewandteChemieInternat_Chang.pdf file_size: 4072650 relation: main_file success: 1 file_date_updated: 2023-02-02T08:01:00Z has_accepted_license: '1' intvolume: ' 61' isi: 1 issue: '35' language: - iso: eng month: '08' oa: 1 oa_version: Published Version project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Angewandte Chemie - International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: 'Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 61 year: '2022' ... --- _id: '12237' abstract: - lang: eng 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. 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. article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Christine full_name: Fiedler, Christine id: bd3fceba-dc74-11ea-a0a7-c17f71817366 last_name: Fiedler - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Maria full_name: Garcia, Maria id: 6e5c50b8-97dc-11ed-be98-b0a74c84cae0 last_name: Garcia - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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' 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.' 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.' 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.' short: C. Fiedler, T. Kleinhanns, M. Garcia, S. Lee, M. Calcabrini, M. Ibáñez, Chemistry of Materials 34 (2022) 8471–8489. date_created: 2023-01-16T09:51:26Z date_published: 2022-09-20T00:00:00Z date_updated: 2023-08-04T09:38:26Z day: '20' ddc: - '540' department: - _id: MaIb doi: 10.1021/acs.chemmater.2c01967 ec_funded: 1 external_id: isi: - '000917837600001' pmid: - '36248227' file: - access_level: open_access checksum: f7143e44ab510519d1949099c3558532 content_type: application/pdf creator: dernst date_created: 2023-01-30T07:35:09Z date_updated: 2023-01-30T07:35:09Z file_id: '12434' file_name: 2022_ChemistryMaterials_Fiedler.pdf file_size: 10923495 relation: main_file success: 1 file_date_updated: 2023-01-30T07:35:09Z has_accepted_license: '1' intvolume: ' 34' isi: 1 issue: '19' keyword: - Materials Chemistry - General Chemical Engineering - General Chemistry language: - iso: eng month: '09' oa: 1 oa_version: Published Version page: 8471-8489 pmid: 1 project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program publication: Chemistry of Materials publication_identifier: eissn: - 1520-5002 issn: - 0897-4756 publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: record: - id: '12885' relation: dissertation_contains status: public scopus_import: '1' status: public title: 'Solution-processed inorganic thermoelectric materials: Opportunities and challenges' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 34 year: '2022' ... --- _id: '10566' abstract: - lang: eng 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. 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. article_number: '133837' article_processing_charge: No article_type: original author: - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Dawei full_name: Yang, Dawei last_name: Yang - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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). date_created: 2021-12-19T23:01:33Z date_published: 2022-04-01T00:00:00Z date_updated: 2023-10-03T10:14:34Z day: '01' department: - _id: MaIb doi: 10.1016/j.cej.2021.133837 ec_funded: 1 external_id: isi: - '000773425200006' intvolume: ' 433' isi: 1 language: - iso: eng main_file_link: - open_access: '1' url: https://ddd.uab.cat/pub/artpub/2022/270830/10.1016j.cej.2021.133837.pdf month: '04' oa: 1 oa_version: Submitted Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Chemical Engineering Journal publication_identifier: issn: - 1385-8947 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 433 year: '2022' ... --- _id: '12236' abstract: - lang: eng 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. 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 article_type: original author: - first_name: Xiang full_name: Wang, Xiang last_name: Wang - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Ren full_name: He, Ren last_name: He - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Ahmad full_name: Ostovari Moghaddam, Ahmad last_name: Ostovari Moghaddam - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Xueqiang full_name: Qi, Xueqiang last_name: Qi - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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. 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. 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. 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. date_created: 2023-01-16T09:51:10Z date_published: 2022-10-14T00:00:00Z date_updated: 2023-10-04T08:28:14Z day: '14' department: - _id: MaIb doi: 10.1021/acsami.2c11627 external_id: isi: - '000873782700001' pmid: - '36239982' intvolume: ' 14' isi: 1 issue: '42' keyword: - General Materials Science language: - iso: eng month: '10' oa_version: None page: 48212-48219 pmid: 1 publication: ACS Applied Materials & Interfaces publication_identifier: eissn: - 1944-8252 issn: - 1944-8244 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 14 year: '2022' ... --- _id: '11144' abstract: - lang: eng 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. 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. article_processing_charge: No article_type: original author: - first_name: Lizhong full_name: Su, Lizhong last_name: Su - first_name: Dongyang full_name: Wang, Dongyang last_name: Wang - first_name: Sining full_name: Wang, Sining last_name: Wang - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Yuping full_name: Wang, Yuping last_name: Wang - first_name: Yongxin full_name: Qin, Yongxin last_name: Qin - first_name: Yang full_name: Jin, Yang last_name: Jin - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao citation: 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 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. 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. 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. 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. 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. date_created: 2022-04-10T22:01:40Z date_published: 2022-03-25T00:00:00Z date_updated: 2023-10-16T09:10:36Z day: '25' department: - _id: MaIb doi: 10.1126/science.abn8997 external_id: isi: - '000778894800038' pmid: - '35324303' intvolume: ' 375' isi: 1 issue: '6587' language: - iso: eng month: '03' oa_version: None page: 1385-1389 pmid: 1 project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: Science publication_identifier: eissn: - 1095-9203 publication_status: published publisher: American Association for the Advancement of Science quality_controlled: '1' scopus_import: '1' status: public title: High thermoelectric performance realized through manipulating layered phonon-electron decoupling type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 375 year: '2022' ... --- _id: '14437' abstract: - lang: eng 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. article_processing_charge: No article_type: letter_note author: - first_name: Hendrik full_name: Utzat, Hendrik last_name: Utzat - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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 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. ieee: H. Utzat and M. Ibáñez, “Molecular engineering enables bright blue LEDs,” Nature, vol. 612, no. 7941. Springer Nature, pp. 638–639, 2022. 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. short: H. Utzat, M. Ibáñez, Nature 612 (2022) 638–639. date_created: 2023-10-17T11:14:43Z date_published: 2022-12-21T00:00:00Z date_updated: 2023-10-18T06:26:30Z day: '21' department: - _id: MaIb doi: 10.1038/d41586-022-04447-0 external_id: pmid: - '36543947' intvolume: ' 612' issue: '7941' keyword: - Multidisciplinary language: - iso: eng month: '12' oa_version: None page: 638-639 pmid: 1 publication: Nature publication_identifier: eissn: - 1476-4687 issn: - 0028-0836 publication_status: published publisher: Springer Nature quality_controlled: '1' status: public title: Molecular engineering enables bright blue LEDs type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 612 year: '2022' ... --- _id: '12155' 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. 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). article_processing_charge: No article_type: original author: - first_name: Yongxin full_name: Qin, Yongxin last_name: Qin - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Dongyang full_name: Wang, Dongyang last_name: Wang - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Li-Dong full_name: Zhao, Li-Dong last_name: Zhao citation: 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' 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.' 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.' ista: 'Qin Y, Qin B, Wang D, Chang C, Zhao L-D. 2022. Solid-state cooling: Thermoelectrics. Energy & Environmental Science. 15(11), 4527–4541.' 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.' short: Y. Qin, B. Qin, D. Wang, C. Chang, L.-D. Zhao, Energy & Environmental Science 15 (2022) 4527–4541. date_created: 2023-01-12T12:08:41Z date_published: 2022-11-01T00:00:00Z date_updated: 2024-01-22T08:13:43Z day: '01' department: - _id: MaIb doi: 10.1039/d2ee02408j external_id: isi: - '000863642400001' intvolume: ' 15' isi: 1 issue: '11' keyword: - Pollution - Nuclear Energy and Engineering - Renewable Energy - Sustainability and the Environment - Environmental Chemistry language: - iso: eng month: '11' oa_version: None page: 4527-4541 publication: Energy & Environmental Science publication_identifier: eissn: - 1754-5706 issn: - 1754-5692 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' related_material: link: - relation: erratum url: https://doi.org/10.1039/d3ee90067c scopus_import: '1' status: public title: 'Solid-state cooling: Thermoelectrics' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 15 year: '2022' ... --- _id: '10806' 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. 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.' article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini - first_name: Dietger full_name: Van den Eynden, Dietger last_name: Van den Eynden - first_name: Sergi full_name: Sanchez Ribot, Sergi id: ddae5a59-f6e0-11ea-865d-d9dc61e77a2a last_name: Sanchez Ribot - first_name: Rohan full_name: Pokratath, Rohan last_name: Pokratath - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Jonathan full_name: De Roo, Jonathan last_name: De Roo - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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' 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' 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.' 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.' 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.' 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.' 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. date_created: 2022-03-02T15:24:16Z date_published: 2021-11-22T00:00:00Z date_updated: 2023-05-05T08:45:36Z day: '22' ddc: - '540' department: - _id: MaIb doi: 10.1021/jacsau.1c00349 ec_funded: 1 file: - access_level: open_access checksum: 1c66a35369e911312a359111420318a9 content_type: application/pdf creator: cchlebak date_created: 2022-03-02T15:33:18Z date_updated: 2022-03-02T15:33:18Z file_id: '10807' file_name: 2021_JACSAu_Calcabrini.pdf file_size: 1257973 relation: main_file success: 1 file_date_updated: 2022-03-02T15:33:18Z has_accepted_license: '1' intvolume: ' 1' issue: '11' keyword: - general medicine language: - iso: eng month: '11' oa: 1 oa_version: Published Version page: 1898-1903 project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' - _id: B67AFEDC-15C9-11EA-A837-991A96BB2854 name: IST Austria Open Access Fund publication: JACS Au publication_identifier: eissn: - 2691-3704 issn: - 2691-3704 publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: link: - relation: earlier_version url: https://doi.org/10.26434/chemrxiv-2021-cn2fr record: - id: '12885' relation: dissertation_contains status: public status: public title: 'Ligand conversion in nanocrystal synthesis: The oxidation of alkylamines to fatty acids by nitrate' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9 volume: 1 year: '2021' ... --- _id: '9118' abstract: - lang: eng 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. 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)." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini - first_name: Aziz full_name: Genc, Aziz last_name: Genc - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Dmitry N. full_name: Dirin, Dmitry N. last_name: Dirin - first_name: Quinten A. full_name: Akkerman, Quinten A. last_name: Akkerman - first_name: Maksym V. full_name: Kovalenko, Maksym V. last_name: Kovalenko - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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 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. 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. 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. 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. 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. date_created: 2021-02-14T23:01:14Z date_published: 2021-01-20T00:00:00Z date_updated: 2023-08-07T13:46:00Z day: '20' ddc: - '540' department: - _id: MaIb doi: 10.1021/acsenergylett.0c02448 ec_funded: 1 external_id: isi: - '000619803400036' file: - access_level: open_access checksum: 6fa7374bf8b95fdfe6e6c595322a6689 content_type: application/pdf creator: dernst date_created: 2021-02-17T07:36:52Z date_updated: 2021-02-17T07:36:52Z file_id: '9155' file_name: 2021_ACSEnergyLetters_Calcabrini.pdf file_size: 5071201 relation: main_file success: 1 file_date_updated: 2021-02-17T07:36:52Z has_accepted_license: '1' intvolume: ' 6' isi: 1 issue: '2' language: - iso: eng month: '01' oa: 1 oa_version: Published Version page: 581-587 project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program publication: ACS Energy Letters publication_identifier: eissn: - 2380-8195 publication_status: published publisher: American Chemical Society quality_controlled: '1' related_material: record: - id: '12885' relation: dissertation_contains status: public scopus_import: '1' status: public title: Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 6 year: '2021' ... --- _id: '9206' 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. ' 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. " article_number: '853' article_processing_charge: No article_type: original author: - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Kaya full_name: Wei, Kaya last_name: Wei - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Aziz full_name: Genç, Aziz last_name: Genç - first_name: Taisiia full_name: Berestok, Taisiia last_name: Berestok - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Alexey full_name: Shavel, Alexey last_name: Shavel - first_name: George S. full_name: Nolas, George S. last_name: Nolas - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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). date_created: 2021-02-28T23:01:24Z date_published: 2021-02-10T00:00:00Z date_updated: 2023-08-07T13:50:03Z day: '10' ddc: - '540' department: - _id: MaIb doi: 10.3390/ma14040853 external_id: isi: - '000624094100001' file: - access_level: open_access checksum: 76d6c7f97b810ce504ab151c9bf3524e content_type: application/pdf creator: dernst date_created: 2021-03-03T07:32:01Z date_updated: 2021-03-03T07:32:01Z file_id: '9218' file_name: 2021_Materials_Cadavid.pdf file_size: 2722517 relation: main_file success: 1 file_date_updated: 2021-03-03T07:32:01Z has_accepted_license: '1' intvolume: ' 14' isi: 1 issue: '4' language: - iso: eng month: '02' oa: 1 oa_version: Published Version publication: Materials publication_identifier: eissn: - 1996-1944 publication_status: published publisher: MDPI quality_controlled: '1' scopus_import: '1' status: public title: Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 14 year: '2021' ... --- _id: '9626' 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. 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_number: '100452' article_processing_charge: No article_type: original author: - first_name: Lizhong full_name: Su, Lizhong last_name: Su - first_name: Tao full_name: Hong, Tao last_name: Hong - first_name: Dongyang full_name: Wang, Dongyang last_name: Wang - first_name: Sining full_name: Wang, Sining last_name: Wang - first_name: Bingchao full_name: Qin, Bingchao last_name: Qin - first_name: Mengmeng full_name: Zhang, Mengmeng last_name: Zhang - first_name: Xiang full_name: Gao, Xiang last_name: Gao - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao citation: 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 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. 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. 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. 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. 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). date_created: 2021-07-04T22:01:24Z date_published: 2021-06-03T00:00:00Z date_updated: 2023-08-10T13:56:31Z day: '03' department: - _id: MaIb doi: 10.1016/j.mtphys.2021.100452 external_id: isi: - '000703159600010' intvolume: ' 20' isi: 1 language: - iso: eng month: '06' oa_version: None publication: Materials Today Physics publication_identifier: eissn: - 2542-5293 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Realizing high doping efficiency and thermoelectric performance in n-type SnSe polycrystals via bandgap engineering and vacancy compensation type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 20 year: '2021' ... --- _id: '9829' 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. 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. article_processing_charge: No article_type: original author: - first_name: Dmitry full_name: Baranov, Dmitry last_name: Baranov - first_name: Tara full_name: Šverko, Tara last_name: Šverko - first_name: Taylor full_name: Moot, Taylor last_name: Moot - first_name: Helena R. full_name: Keller, Helena R. last_name: Keller - first_name: Megan D. full_name: Klein, Megan D. last_name: Klein - first_name: E. K. full_name: Vishnu, E. K. last_name: Vishnu - first_name: Daniel full_name: Balazs, Daniel id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E last_name: Balazs orcid: 0000-0001-7597-043X - first_name: Katherine E. full_name: Shulenberger, Katherine E. last_name: Shulenberger 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' 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.' 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.' 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.' 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.' 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. date_created: 2021-08-08T22:01:31Z date_published: 2021-07-06T00:00:00Z date_updated: 2023-08-11T10:55:08Z day: '06' department: - _id: MaIb doi: 10.1021/acsnano.1c03276 external_id: isi: - '000679406500002' pmid: - '34228432' intvolume: ' 15' isi: 1 issue: '7' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acsnano.1c03276 month: '07' oa: 1 oa_version: Published Version page: 10743–10747 pmid: 1 publication: ACS Nano publication_identifier: eissn: - 1936086X issn: - '19360851' publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'News in Nanocrystals seminar: Self-assembly of early career researchers toward globally accessible nanoscience' type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 15 year: '2021' ... --- _id: '10123' abstract: - lang: eng 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. acknowledged_ssus: - _id: EM-Fac - _id: NanoFab 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.' article_number: '2106858' article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Mariano full_name: Calcabrini, Mariano id: 45D7531A-F248-11E8-B48F-1D18A9856A87 last_name: Calcabrini orcid: 0000-0003-4566-5877 - first_name: Yuan full_name: Yu, Yuan last_name: Yu - first_name: Aziz full_name: Genç, Aziz last_name: Genç - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Tommaso full_name: Costanzo, Tommaso id: D93824F4-D9BA-11E9-BB12-F207E6697425 last_name: Costanzo orcid: 0000-0001-9732-3815 - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Oana full_name: Cojocaru‐Mirédin, Oana last_name: Cojocaru‐Mirédin - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: 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' 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.' 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.' 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.' 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.' 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). date_created: 2021-10-11T20:07:24Z date_published: 2021-12-29T00:00:00Z date_updated: 2023-08-14T07:25:27Z day: '29' ddc: - '620' department: - _id: EM-Fac - _id: MaIb doi: 10.1002/adma.202106858 ec_funded: 1 external_id: isi: - '000709899300001' pmid: - '34626034' file: - access_level: open_access checksum: 990bccc527c64d85cf1c97885110b5f4 content_type: application/pdf creator: cchlebak date_created: 2022-02-03T13:16:14Z date_updated: 2022-02-03T13:16:14Z file_id: '10720' file_name: 2021_AdvancedMaterials_Liu.pdf file_size: 5595666 relation: main_file success: 1 file_date_updated: 2022-02-03T13:16:14Z has_accepted_license: '1' intvolume: ' 33' isi: 1 issue: '52' keyword: - mechanical engineering - mechanics of materials - general materials science language: - iso: eng month: '12' oa: 1 oa_version: Published Version pmid: 1 project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: Advanced Materials publication_identifier: eissn: - 1521-4095 issn: - 0935-9648 publication_status: published publisher: Wiley quality_controlled: '1' related_material: record: - id: '12885' relation: dissertation_contains status: public scopus_import: '1' status: public title: 'The importance of surface adsorbates in solution‐processed thermoelectric materials: The case of SnSe' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 33 year: '2021' ... --- _id: '10073' 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. acknowledged_ssus: - _id: EM-Fac acknowledgement: "The authors thank the EMF facility in IST Austria for providing SEM and EDX measurements.\r\n" article_number: '5416' article_processing_charge: Yes article_type: original author: - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 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 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. ieee: C. Chang and M. Ibáñez, “Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites,” Materials, vol. 14, no. 18. MDPI, 2021. ista: Chang C, Ibáñez M. 2021. Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites. Materials. 14(18), 5416. 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. short: C. Chang, M. Ibáñez, Materials 14 (2021). date_created: 2021-10-03T22:01:23Z date_published: 2021-09-19T00:00:00Z date_updated: 2023-08-14T08:00:01Z day: '19' ddc: - '540' department: - _id: MaIb doi: 10.3390/ma14185416 external_id: isi: - '000700689400001' pmid: - '34576640' file: - access_level: open_access checksum: 4929dfc673a3ae77c010b6174279cc1d content_type: application/pdf creator: cchlebak date_created: 2021-10-14T11:56:39Z date_updated: 2021-10-14T11:56:39Z file_id: '10140' file_name: 2021_Materials_Chang.pdf file_size: 4404141 relation: main_file success: 1 file_date_updated: 2021-10-14T11:56:39Z has_accepted_license: '1' intvolume: ' 14' isi: 1 issue: '18' language: - iso: eng month: '09' oa: 1 oa_version: Published Version pmid: 1 project: - _id: 9B8804FC-BA93-11EA-9121-9846C619BF3A grant_number: M02889 name: Bottom-up Engineering for Thermoelectric Applications publication: Materials publication_identifier: eissn: - 1996-1944 publication_status: published publisher: MDPI quality_controlled: '1' scopus_import: '1' status: public title: Enhanced thermoelectric performance by surface engineering in SnTe-PbS nanocomposites tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 14 year: '2021' ... --- _id: '10534' abstract: - lang: eng 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. 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). article_processing_charge: No article_type: original author: - first_name: Jingjin full_name: Dong, Jingjin last_name: Dong - first_name: Selim full_name: Sami, Selim last_name: Sami - first_name: Daniel full_name: Balazs, Daniel id: 302BADF6-85FC-11EA-9E3B-B9493DDC885E last_name: Balazs orcid: 0000-0001-7597-043X - first_name: Riccardo full_name: Alessandri, Riccardo last_name: Alessandri - first_name: Fatimeh full_name: Jahani, Fatimeh last_name: Jahani - first_name: Li full_name: Qiu, Li last_name: Qiu - first_name: Siewert J. full_name: Marrink, Siewert J. last_name: Marrink - first_name: Remco W.A. full_name: Havenith, Remco W.A. last_name: Havenith - first_name: Jan C. full_name: Hummelen, Jan C. last_name: Hummelen - first_name: Maria A. full_name: Loi, Maria A. last_name: Loi - first_name: Giuseppe full_name: Portale, Giuseppe last_name: Portale 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' 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.' 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.' 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.' 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.' 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. date_created: 2021-12-12T23:01:27Z date_published: 2021-12-07T00:00:00Z date_updated: 2023-08-17T06:18:44Z day: '07' ddc: - '540' department: - _id: MaIb doi: 10.1039/d1tc02753k external_id: isi: - '000688135700001' file: - access_level: open_access checksum: 6b73c214ce54a6894a5854b4364413d7 content_type: application/pdf creator: cchlebak date_created: 2021-12-13T09:24:42Z date_updated: 2021-12-13T09:24:42Z file_id: '10538' file_name: 2021_JMaterChemC_Dong.pdf file_size: 4979390 relation: main_file success: 1 file_date_updated: 2021-12-13T09:24:42Z has_accepted_license: '1' intvolume: ' 9' isi: 1 issue: '45' language: - iso: eng month: '12' oa: 1 oa_version: Published Version page: 16217-16225 publication: Journal of Materials Chemistry C publication_identifier: eissn: - 2050-7526 issn: - 2050-7534 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: 'Fullerene derivatives with oligoethylene-glycol side chains: An investigation on the origin of their outstanding transport properties' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 9 year: '2021' ... --- _id: '10809' 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. article_processing_charge: No article_type: letter_note author: - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 citation: ama: Liu Y, Ibáñez M. Tidying up the mess. Science. 2021;371(6530):678-679. doi:10.1126/science.abg0886 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 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. 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. ista: Liu Y, Ibáñez M. 2021. Tidying up the mess. Science. 371(6530), 678–679. 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. short: Y. Liu, M. Ibáñez, Science 371 (2021) 678–679. date_created: 2022-03-03T09:51:48Z date_published: 2021-02-12T00:00:00Z date_updated: 2023-08-17T07:00:35Z day: '12' department: - _id: MaIb doi: 10.1126/science.abg0886 external_id: isi: - '000617551600027' pmid: - '33574201' intvolume: ' 371' isi: 1 issue: '6530' keyword: - multidisciplinary language: - iso: eng month: '02' oa_version: None page: 678-679 pmid: 1 publication: Science publication_identifier: eissn: - 1095-9203 issn: - 0036-8075 publication_status: published publisher: American Association for the Advancement of Science quality_controlled: '1' scopus_import: '1' status: public title: Tidying up the mess type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 371 year: '2021' ... --- _id: '10858' abstract: - lang: eng 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. 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." article_number: '1827' article_processing_charge: No article_type: original author: - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. ieee: M. Li et al., “Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping,” Nanomaterials, vol. 11, no. 7. MDPI, 2021. 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. 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. short: M. Li, Y. Zhang, T. Zhang, Y. Zuo, K. Xiao, J. Arbiol, J. Llorca, Y. Liu, A. Cabot, Nanomaterials 11 (2021). date_created: 2022-03-18T09:45:02Z date_published: 2021-07-14T00:00:00Z date_updated: 2023-08-17T07:08:30Z day: '14' ddc: - '540' department: - _id: MaIb doi: 10.3390/nano11071827 ec_funded: 1 external_id: isi: - '000676570000001' file: - access_level: open_access checksum: f28a8b5cf80f5605828359bb398463b0 content_type: application/pdf creator: dernst date_created: 2022-03-18T09:53:15Z date_updated: 2022-03-18T09:53:15Z file_id: '10859' file_name: 2021_Nanomaterials_Li.pdf file_size: 4867547 relation: main_file success: 1 file_date_updated: 2022-03-18T09:53:15Z has_accepted_license: '1' intvolume: ' 11' isi: 1 issue: '7' keyword: - General Materials Science - General Chemical Engineering language: - iso: eng month: '07' oa: 1 oa_version: Published Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Nanomaterials publication_identifier: issn: - 2079-4991 publication_status: published publisher: MDPI quality_controlled: '1' scopus_import: '1' status: public title: Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 11 year: '2021' ... --- _id: '9304' 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. 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." article_number: '129374' article_processing_charge: No article_type: original author: - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Pablo full_name: Guardia, Pablo last_name: Guardia - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Ahmad full_name: Moghaddam, Ahmad last_name: Moghaddam - first_name: Joan J full_name: Roa, Joan J last_name: Roa - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Kai full_name: Pan, Kai last_name: Pan - first_name: Mirko full_name: Prato, Mirko last_name: Prato - first_name: Ying full_name: Xie, Ying last_name: Xie - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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). date_created: 2021-04-04T22:01:20Z date_published: 2021-08-15T00:00:00Z date_updated: 2023-09-27T07:36:29Z day: '15' department: - _id: MaIb doi: 10.1016/j.cej.2021.129374 ec_funded: 1 external_id: isi: - '000655672000005' intvolume: ' 418' isi: 1 issue: '8' language: - iso: eng main_file_link: - open_access: '1' url: https://ddd.uab.cat/record/271949 month: '08' oa: 1 oa_version: Submitted Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Chemical Engineering Journal publication_identifier: issn: - 1385-8947 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Influence of copper telluride nanodomains on the transport properties of n-type bismuth telluride type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 418 year: '2021' ... --- _id: '9305' abstract: - lang: eng 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. 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. article_number: '105991' article_processing_charge: No article_type: original author: - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Maria Chiara full_name: Spadaro, Maria Chiara last_name: Spadaro - first_name: Xiang full_name: Wang, Xiang last_name: Wang - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Pablo full_name: Guardia, Pablo last_name: Guardia - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Ahmad Ostovari full_name: Moghaddam, Ahmad Ostovari last_name: Moghaddam - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot 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 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. 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. 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. 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. 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). date_created: 2021-04-04T22:01:21Z date_published: 2021-07-01T00:00:00Z date_updated: 2023-09-27T07:41:00Z day: '01' department: - _id: MaIb doi: 10.1016/j.nanoen.2021.105991 ec_funded: 1 external_id: isi: - '000663442200004' intvolume: ' 85' isi: 1 issue: '7' language: - iso: eng main_file_link: - open_access: '1' url: https://ddd.uab.cat/record/271947 month: '07' oa: 1 oa_version: Submitted Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Nano Energy publication_identifier: issn: - 2211-2855 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Doping-mediated stabilization of copper vacancies to promote thermoelectric properties of Cu2-xS type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 85 year: '2021' ... --- _id: '10327' 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. 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. article_processing_charge: No article_type: original author: - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Ke full_name: Xiao, Ke last_name: Xiao - 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 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. date_created: 2021-11-21T23:01:30Z date_published: 2021-10-19T00:00:00Z date_updated: 2023-10-03T09:55:33Z day: '19' department: - _id: MaIb doi: 10.1021/acsami.1c15609 ec_funded: 1 external_id: isi: - '000715852100070' pmid: - '34665616' intvolume: ' 13' isi: 1 issue: '43' keyword: - CuxS - PbS - energy conversion - nanocomposite - nanoparticle - solution synthesis - thermoelectric language: - iso: eng main_file_link: - open_access: '1' url: https://upcommons.upc.edu/bitstream/2117/363528/1/Pb%20mengyao.pdf month: '10' oa: 1 oa_version: Submitted Version page: 51373–51382 pmid: 1 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships - _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery' publication: ACS Applied Materials and Interfaces publication_identifier: eissn: - 1944-8252 issn: - 1944-8244 publication_status: published publisher: 'American Chemical Society ' quality_controlled: '1' scopus_import: '1' status: public title: PbS–Pb–CuxS composites for thermoelectric application type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 13 year: '2021' ... --- _id: '9235' abstract: - lang: eng 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. 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. article_processing_charge: No article_type: original author: - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Chenyang full_name: Xie, Chenyang last_name: Xie - first_name: Ke full_name: Xiao, Ke last_name: Xiao - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Junfeng full_name: Liu, Junfeng last_name: Liu - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. date_created: 2021-03-10T20:12:45Z date_published: 2021-03-01T00:00:00Z date_updated: 2023-10-03T09:59:55Z day: '01' department: - _id: MaIb doi: 10.1021/acsnano.0c09866 external_id: isi: - '000634569100106' pmid: - '33645986' intvolume: ' 15' isi: 1 issue: '3' keyword: - General Engineering - General Physics and Astronomy - General Materials Science language: - iso: eng main_file_link: - open_access: '1' url: https://upcommons.upc.edu/bitstream/handle/2117/363528/Pb%20mengyao.pdf?sequence=1&isAllowed=y month: '03' oa: 1 oa_version: Submitted Version page: 4967–4978 pmid: 1 publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: 'American Chemical Society ' quality_controlled: '1' scopus_import: '1' status: public title: Effect of the annealing atmosphere on crystal phase and thermoelectric properties of copper sulfide type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 15 year: '2021' ... --- _id: '14800' 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. ' article_number: '2108017' article_processing_charge: No article_type: review author: - first_name: Cheng full_name: Chang, Cheng id: 9E331C2E-9F27-11E9-AE48-5033E6697425 last_name: Chang orcid: 0000-0002-9515-4277 - first_name: Wei full_name: Chen, Wei last_name: Chen - first_name: Ye full_name: Chen, Ye last_name: Chen - first_name: Yonghua full_name: Chen, Yonghua last_name: Chen - first_name: Yu full_name: Chen, Yu last_name: Chen - first_name: Feng full_name: Ding, Feng last_name: Ding - first_name: Chunhai full_name: Fan, Chunhai last_name: Fan - first_name: Hong Jin full_name: Fan, Hong Jin last_name: Fan - first_name: Zhanxi full_name: Fan, Zhanxi last_name: Fan - first_name: Cheng full_name: Gong, Cheng last_name: Gong - first_name: Yongji full_name: Gong, Yongji last_name: Gong - first_name: Qiyuan full_name: He, Qiyuan last_name: He - first_name: Xun full_name: Hong, Xun last_name: Hong - first_name: Sheng full_name: Hu, Sheng last_name: Hu - first_name: Weida full_name: Hu, Weida last_name: Hu - first_name: Wei full_name: Huang, Wei last_name: Huang - first_name: Yuan full_name: Huang, Yuan last_name: Huang - first_name: Wei full_name: Ji, Wei last_name: Ji - first_name: Dehui full_name: Li, Dehui last_name: Li - first_name: Lain Jong full_name: Li, Lain Jong last_name: Li - first_name: Qiang full_name: Li, Qiang last_name: Li - first_name: Li full_name: Lin, Li last_name: Lin - first_name: Chongyi full_name: Ling, Chongyi last_name: Ling - first_name: Minghua full_name: Liu, Minghua last_name: Liu - first_name: 'Nan' full_name: Liu, Nan last_name: Liu - first_name: Zhuang full_name: Liu, Zhuang last_name: Liu - first_name: Kian Ping full_name: Loh, Kian Ping last_name: Loh - first_name: Jianmin full_name: Ma, Jianmin last_name: Ma - first_name: Feng full_name: Miao, Feng last_name: Miao - first_name: Hailin full_name: Peng, Hailin last_name: Peng - first_name: Mingfei full_name: Shao, Mingfei last_name: Shao - first_name: Li full_name: Song, Li last_name: Song - first_name: Shao full_name: Su, Shao last_name: Su - first_name: Shuo full_name: Sun, Shuo last_name: Sun - first_name: Chaoliang full_name: Tan, Chaoliang last_name: Tan - first_name: Zhiyong full_name: Tang, Zhiyong last_name: Tang - first_name: Dingsheng full_name: Wang, Dingsheng last_name: Wang - first_name: Huan full_name: Wang, Huan last_name: Wang - first_name: Jinlan full_name: Wang, Jinlan last_name: Wang - first_name: Xin full_name: Wang, Xin last_name: Wang - first_name: Xinran full_name: Wang, Xinran last_name: Wang - first_name: Andrew T.S. full_name: Wee, Andrew T.S. last_name: Wee - first_name: Zhongming full_name: Wei, Zhongming last_name: Wei - first_name: Yuen full_name: Wu, Yuen last_name: Wu - first_name: Zhong Shuai full_name: Wu, Zhong Shuai last_name: Wu - first_name: Jie full_name: Xiong, Jie last_name: Xiong - first_name: Qihua full_name: Xiong, Qihua last_name: Xiong - first_name: Weigao full_name: Xu, Weigao last_name: Xu - first_name: Peng full_name: Yin, Peng last_name: Yin - first_name: Haibo full_name: Zeng, Haibo last_name: Zeng - first_name: Zhiyuan full_name: Zeng, Zhiyuan last_name: Zeng - first_name: Tianyou full_name: Zhai, Tianyou last_name: Zhai - first_name: Han full_name: Zhang, Han last_name: Zhang - first_name: Hui full_name: Zhang, Hui last_name: Zhang - first_name: Qichun full_name: Zhang, Qichun last_name: Zhang - first_name: Tierui full_name: Zhang, Tierui last_name: Zhang - first_name: Xiang full_name: Zhang, Xiang last_name: Zhang - first_name: Li Dong full_name: Zhao, Li Dong last_name: Zhao - first_name: Meiting full_name: Zhao, Meiting last_name: Zhao - first_name: Weijie full_name: Zhao, Weijie last_name: Zhao - first_name: Yunxuan full_name: Zhao, Yunxuan last_name: Zhao - first_name: Kai Ge full_name: Zhou, Kai Ge last_name: Zhou - first_name: Xing full_name: Zhou, Xing last_name: Zhou - first_name: Yu full_name: Zhou, Yu last_name: Zhou - first_name: Hongwei full_name: Zhu, Hongwei last_name: Zhu - first_name: Hua full_name: Zhang, Hua last_name: Zhang - first_name: Zhongfan full_name: Liu, Zhongfan last_name: Liu citation: 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 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 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. ieee: C. Chang et al., “Recent progress on two-dimensional materials,” Acta Physico-Chimica Sinica, vol. 37, no. 12. Peking University, 2021. 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. 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. 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). date_created: 2024-01-14T23:00:58Z date_published: 2021-10-13T00:00:00Z date_updated: 2024-01-17T11:29:33Z day: '13' department: - _id: MaIb doi: 10.3866/PKU.WHXB202108017 intvolume: ' 37' issue: '12' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.3866/PKU.WHXB202108017 month: '10' oa: 1 oa_version: Submitted Version publication: Acta Physico-Chimica Sinica publication_identifier: issn: - 1001-4861 publication_status: published publisher: Peking University quality_controlled: '1' scopus_import: '1' status: public title: Recent progress on two-dimensional materials type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 37 year: '2021' ... --- _id: '7467' 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. 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. article_processing_charge: No article_type: original author: - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Silvia full_name: Ortega, Silvia last_name: Ortega - first_name: Sergio full_name: Illera, Sergio last_name: Illera - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Alexey full_name: Shavel, Alexey last_name: Shavel - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Antonio M. full_name: López, Antonio M. last_name: López - first_name: Germán full_name: Noriega, Germán last_name: Noriega - first_name: Oscar Juan full_name: Durá, Oscar Juan last_name: Durá - first_name: M. A. full_name: López De La Torre, M. A. last_name: López De La Torre - first_name: Joan Daniel full_name: Prades, Joan Daniel last_name: Prades - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. 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. date_created: 2020-02-09T23:00:52Z date_published: 2020-03-01T00:00:00Z date_updated: 2023-08-17T14:36:16Z day: '01' ddc: - '540' department: - _id: MaIb doi: 10.1021/acsaem.9b02137 ec_funded: 1 external_id: isi: - '000526598300012' file: - access_level: open_access checksum: f23be731a766a480c77c962c1380315c content_type: application/pdf creator: dernst date_created: 2022-08-23T08:34:17Z date_updated: 2022-08-23T08:34:17Z file_id: '11942' file_name: 2020_ACSAppliedEnergyMat_Cadavid.pdf file_size: 6423548 relation: main_file success: 1 file_date_updated: 2022-08-23T08:34:17Z has_accepted_license: '1' intvolume: ' 3' isi: 1 issue: '3' language: - iso: eng month: '03' oa: 1 oa_version: Submitted Version page: 2120-2129 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: ACS Applied Energy Materials publication_identifier: eissn: - 2574-0962 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Influence of the ligand stripping on the transport properties of nanoparticle-based PbSe nanomaterials type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 3 year: '2020' ... --- _id: '7634' 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. 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. article_processing_charge: No article_type: original author: - first_name: Retno full_name: Miranti, Retno last_name: Miranti - first_name: Daiki full_name: Shin, Daiki last_name: Shin - first_name: Ricky Dwi full_name: Septianto, Ricky Dwi last_name: Septianto - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Maksym V. full_name: Kovalenko, Maksym V. last_name: Kovalenko - first_name: Nobuhiro full_name: Matsushita, Nobuhiro last_name: Matsushita - first_name: Yoshihiro full_name: Iwasa, Yoshihiro last_name: Iwasa - first_name: Satria Zulkarnaen full_name: Bisri, Satria Zulkarnaen last_name: Bisri citation: 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 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 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. 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. 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. 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. date_created: 2020-04-05T22:00:48Z date_published: 2020-03-24T00:00:00Z date_updated: 2023-08-18T10:25:40Z day: '24' department: - _id: MaIb doi: 10.1021/acsnano.9b08687 external_id: isi: - '000526301400057' pmid: - '32073817' intvolume: ' 14' isi: 1 issue: '3' language: - iso: eng month: '03' oa_version: None page: 3242-3250 pmid: 1 publication: ACS Nano publication_identifier: eissn: - 1936-086X publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Exclusive electron transport in Core@Shell PbTe@PbS colloidal semiconductor nanocrystal assemblies type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 14 year: '2020' ... --- _id: '8039' 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. article_processing_charge: No article_type: original author: - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Mercè full_name: Pacios, Mercè last_name: Pacios - first_name: Xiaoting full_name: Yu, Xiaoting last_name: Yu - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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 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. 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. 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. 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. 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. date_created: 2020-06-29T07:59:35Z date_published: 2020-06-17T00:00:00Z date_updated: 2023-08-22T07:50:08Z day: '17' department: - _id: MaIb doi: 10.1021/acsami.0c04331 ec_funded: 1 external_id: isi: - '000542925300032' pmid: - '32437128' intvolume: ' 12' isi: 1 issue: '24' language: - iso: eng month: '06' oa_version: None page: 27104-27111 pmid: 1 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: ACS Applied Materials and Interfaces publication_identifier: eissn: - '19448252' publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Tin selenide molecular precursor for the solution processing of thermoelectric materials and devices type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 12 year: '2020' ... --- _id: '8189' abstract: - lang: eng 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. 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. article_number: '105116' article_processing_charge: No article_type: original author: - first_name: Xiaoting full_name: Yu, Xiaoting last_name: Yu - first_name: Junfeng full_name: Liu, Junfeng last_name: Liu - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Zhishan full_name: Luo, Zhishan last_name: Luo - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Déspina full_name: Nasiou, Déspina last_name: Nasiou - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Kai full_name: Pan, Kai last_name: Pan - first_name: Tobias full_name: Kleinhanns, Tobias id: 8BD9DE16-AB3C-11E9-9C8C-2A03E6697425 last_name: Kleinhanns - first_name: Ying full_name: Xie, Ying last_name: Xie - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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. ieee: X. Yu et al., “Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation,” Nano Energy, vol. 77, no. 11. Elsevier, 2020. 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. 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). date_created: 2020-08-02T22:00:57Z date_published: 2020-11-01T00:00:00Z date_updated: 2023-08-22T08:24:05Z day: '01' department: - _id: MaIb doi: 10.1016/j.nanoen.2020.105116 external_id: isi: - '000581738300030' intvolume: ' 77' isi: 1 issue: '11' language: - iso: eng month: '11' oa_version: None publication: Nano Energy publication_identifier: issn: - 2211-2855 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Phosphorous incorporation in Pd2Sn alloys for electrocatalytic ethanol oxidation type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 77 year: '2020' ... --- _id: '8747' abstract: - lang: eng 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." 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." article_processing_charge: No article_type: original author: - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Mariano full_name: Calcabrini, Mariano last_name: Calcabrini - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Xu full_name: Han, Xu last_name: Han - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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. date_created: 2020-11-09T08:37:51Z date_published: 2020-10-28T00:00:00Z date_updated: 2023-08-22T12:41:05Z day: '28' department: - _id: MaIb doi: 10.1039/D0TC02182B ec_funded: 1 external_id: isi: - '000581559100015' intvolume: ' 8' isi: 1 issue: '40' language: - iso: eng month: '10' oa_version: None page: 14092-14099 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Journal of Materials Chemistry C publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Bismuth telluride-copper telluride nanocomposites from heterostructured building blocks type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 8 year: '2020' ... --- _id: '8926' abstract: - lang: eng 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.' 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. article_processing_charge: No article_type: original author: - first_name: Erdem full_name: Irtem, Erdem last_name: Irtem - first_name: Daniel full_name: Arenas Esteban, Daniel last_name: Arenas Esteban - first_name: Miguel full_name: Duarte, Miguel last_name: Duarte - first_name: Daniel full_name: Choukroun, Daniel last_name: Choukroun - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Sara full_name: Bals, Sara last_name: Bals - first_name: Tom full_name: Breugelmans, Tom last_name: Breugelmans citation: 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 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 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. 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. 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. 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. short: E. Irtem, D. Arenas Esteban, M. Duarte, D. Choukroun, S. Lee, M. Ibáñez, S. Bals, T. Breugelmans, ACS Catalysis 10 (2020) 13468–13478. date_created: 2020-12-06T23:01:15Z date_published: 2020-11-20T00:00:00Z date_updated: 2023-08-24T10:52:32Z day: '20' department: - _id: MaIb doi: 10.1021/acscatal.0c03210 ec_funded: 1 external_id: isi: - '000592978900031' intvolume: ' 10' isi: 1 issue: '22' language: - iso: eng month: '11' oa_version: None page: 13468-13478 project: - _id: 2564DBCA-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '665385' name: International IST Doctoral Program publication: ACS Catalysis publication_identifier: eissn: - '21555435' publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Ligand-mode directed selectivity in Cu-Ag core-shell based gas diffusion electrodes for CO2 electroreduction type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 10 year: '2020' ... --- _id: '8746' abstract: - lang: eng 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. " 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." article_number: '173101' article_processing_charge: No article_type: original author: - first_name: Retno full_name: Miranti, Retno last_name: Miranti - first_name: Ricky Dwi full_name: Septianto, Ricky Dwi last_name: Septianto - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Maksym V. full_name: Kovalenko, Maksym V. last_name: Kovalenko - first_name: Nobuhiro full_name: Matsushita, Nobuhiro last_name: Matsushita - first_name: Yoshihiro full_name: Iwasa, Yoshihiro last_name: Iwasa - first_name: Satria Zulkarnaen full_name: Bisri, Satria Zulkarnaen last_name: Bisri citation: 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 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. 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. 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. 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. short: R. Miranti, R.D. Septianto, M. Ibáñez, M.V. Kovalenko, N. Matsushita, Y. Iwasa, S.Z. Bisri, Applied Physics Letters 117 (2020). date_created: 2020-11-09T08:05:43Z date_published: 2020-10-26T00:00:00Z date_updated: 2023-09-05T11:57:23Z day: '26' department: - _id: MaIb doi: 10.1063/5.0025965 external_id: isi: - '000591639700001' intvolume: ' 117' isi: 1 issue: '17' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1063/5.0025965 month: '10' oa: 1 oa_version: Published Version publication: Applied Physics Letters publication_identifier: eissn: - 1077-3118 issn: - 0003-6951 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Electron transport in iodide-capped core@shell PbTe@PbS colloidal nanocrystal solids type: journal_article user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1 volume: 117 year: '2020' ... --- _id: '6566' abstract: - lang: eng 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. article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Aziz full_name: Genç, Aziz last_name: Genç - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Oleksandr full_name: Dobrozhan, Oleksandr last_name: Dobrozhan - first_name: Olga full_name: Nazarenko, Olga last_name: Nazarenko - first_name: María de la full_name: Mata, María de la last_name: Mata - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot - first_name: Maksym V. full_name: Kovalenko, Maksym V. last_name: Kovalenko citation: 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 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 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. 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. 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. 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. date_created: 2019-06-18T13:54:34Z date_published: 2019-06-25T00:00:00Z date_updated: 2023-08-28T12:20:53Z day: '25' ddc: - '540' department: - _id: MaIb doi: 10.1021/acsnano.9b00346 ec_funded: 1 external_id: isi: - '000473248300043' pmid: - '31185159' file: - access_level: open_access content_type: application/pdf creator: dernst date_created: 2019-07-16T14:17:09Z date_updated: 2020-07-14T12:47:33Z file_id: '6644' file_name: 2019_ACSNano_Ibanez.pdf file_size: 8628690 relation: main_file file_date_updated: 2020-07-14T12:47:33Z has_accepted_license: '1' intvolume: ' 13' isi: 1 issue: '6' keyword: - colloidal nanoparticles - asymmetric nanoparticles - inorganic ligands - heterostructures - catalyst assisted growth - nanocomposites - thermoelectrics language: - iso: eng month: '06' oa: 1 oa_version: Published Version page: 6572-6580 pmid: 1 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Tuning transport properties in thermoelectric nanocomposites through inorganic ligands and heterostructured building blocks type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 13 year: '2019' ... --- _id: '6818' abstract: - lang: eng 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. article_number: '107768' article_processing_charge: No article_type: original author: - first_name: Cigdem full_name: Yumusak, Cigdem last_name: Yumusak - first_name: Anna Jancik full_name: Prochazkova, Anna Jancik last_name: Prochazkova - first_name: Dogukan H full_name: Apaydin, Dogukan H id: 2FF891BC-F248-11E8-B48F-1D18A9856A87 last_name: Apaydin orcid: 0000-0002-1075-8857 - 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 - first_name: Jozef full_name: Krajcovic, Jozef last_name: Krajcovic - first_name: Yong full_name: Qin, Yong last_name: Qin - first_name: Wei full_name: Zhang, Wei last_name: Zhang - first_name: Jixun full_name: Zhan, Jixun last_name: Zhan - first_name: Alexander full_name: Kovalenko, Alexander last_name: Kovalenko citation: 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 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 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. ieee: C. Yumusak et al., “Indigoidine - Biosynthesized organic semiconductor,” Dyes and Pigments, vol. 171. Elsevier, 2019. 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. mla: Yumusak, Cigdem, et al. “Indigoidine - Biosynthesized Organic Semiconductor.” Dyes and Pigments, vol. 171, 107768, Elsevier, 2019, 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). date_created: 2019-08-18T22:00:39Z date_published: 2019-12-01T00:00:00Z date_updated: 2023-08-29T07:11:09Z day: '01' department: - _id: MaIb doi: 10.1016/j.dyepig.2019.107768 external_id: isi: - '000484870700099' intvolume: ' 171' isi: 1 language: - iso: eng month: '12' oa_version: None publication: Dyes and Pigments publication_identifier: issn: - 0143-7208 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Indigoidine - Biosynthesized organic semiconductor type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 171 year: '2019' ... --- _id: '6586' 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. article_processing_charge: No article_type: original author: - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Roger full_name: Hasler, Roger last_name: Hasler - first_name: Aziz full_name: Genç, Aziz last_name: Genç - first_name: Yu full_name: Liu, Yu id: 2A70014E-F248-11E8-B48F-1D18A9856A87 last_name: Liu orcid: 0000-0001-7313-6740 - first_name: Beatrice full_name: Kuster, Beatrice last_name: Kuster - first_name: Maximilian full_name: Schuster, Maximilian last_name: Schuster - first_name: Oleksandr full_name: Dobrozhan, Oleksandr last_name: Dobrozhan - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot - first_name: Maksym V. full_name: Kovalenko, Maksym V. last_name: Kovalenko citation: 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 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 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. 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. 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. 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. date_created: 2019-06-25T11:53:35Z date_published: 2019-04-19T00:00:00Z date_updated: 2023-09-05T12:03:45Z day: '19' ddc: - '540' department: - _id: MaIb doi: 10.1021/jacs.9b01394 ec_funded: 1 external_id: isi: - '000469292300004' pmid: - '31017419 ' file: - access_level: open_access checksum: 34d7ec837869cc6a07996b54f75696b7 content_type: application/pdf creator: cpetz date_created: 2019-06-25T11:59:00Z date_updated: 2020-07-14T12:47:34Z file_id: '6587' file_name: JACS_April2019.pdf file_size: 6234004 relation: main_file file_date_updated: 2020-07-14T12:47:34Z has_accepted_license: '1' intvolume: ' 141' isi: 1 issue: '20' language: - iso: eng month: '04' oa: 1 oa_version: Published Version page: 8025-8029 pmid: 1 project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Ligand-mediated band engineering in bottom-up assembled SnTe nanocomposites for thermoelectric energy conversion type: journal_article user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1 volume: 141 year: '2019' ... --- _id: '5982' abstract: - lang: eng 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. article_processing_charge: No article_type: original author: - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Yu full_name: Liu, Yu last_name: Liu - first_name: Khak Ho full_name: Lim, Khak Ho last_name: Lim - first_name: Congcong full_name: Xing, Congcong last_name: Xing - first_name: Mengyao full_name: Li, Mengyao last_name: Li - first_name: Ting full_name: Zhang, Ting last_name: Zhang - first_name: Pengyi full_name: Tang, Pengyi last_name: Tang - first_name: Jordi full_name: Arbiol, Jordi last_name: Arbiol - first_name: Jordi full_name: Llorca, Jordi last_name: Llorca - first_name: Ka Ming full_name: Ng, Ka Ming last_name: Ng - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Pablo full_name: Guardia, Pablo last_name: Guardia - first_name: Mirko full_name: Prato, Mirko last_name: Prato - first_name: Doris full_name: Cadavid, Doris last_name: Cadavid - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: 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 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. 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. 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. 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. 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. date_created: 2019-02-14T10:23:27Z date_published: 2018-12-21T00:00:00Z date_updated: 2023-09-19T14:28:31Z day: '21' department: - _id: MaIb doi: 10.1002/anie.201809847 external_id: isi: - '000454575500020' intvolume: ' 57' isi: 1 issue: '52' language: - iso: eng main_file_link: - open_access: '1' url: https://upcommons.upc.edu/bitstream/2117/130444/1/Zhang%20preprint.pdf month: '12' oa: 1 oa_version: Submitted Version page: 17063-17068 publication: Angewandte Chemie International Edition publication_identifier: issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Tin diselenide molecular precursor for solution-processable thermoelectric materials type: journal_article user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1 volume: 57 year: '2018' ...