---
_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
license: https://creativecommons.org/licenses/by/4.0/
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'
...