Computational Prediction and Experimental Realization of Earth-Abundant Transparent Conducting Oxide Ga-Doped ZnSb

Journal

ACS energy letters
ISSN: 2380-8195
Titre abrégé: ACS Energy Lett
Pays: United States
ID NLM: 101697523

Informations de publication

Date de publication:
11 Nov 2022
Historique:
received: 30 08 2022
accepted: 05 10 2022
entrez: 18 11 2022
pubmed: 19 11 2022
medline: 19 11 2022
Statut: ppublish

Résumé

Transparent conducting oxides have become ubiquitous in modern optoelectronics. However, the number of oxides that are transparent to visible light and have the metallic-like conductivity necessary for applications is limited to a handful of systems that have been known for the past 40 years. In this work, we use hybrid density functional theory and defect chemistry analysis to demonstrate that tri-rutile zinc antimonate, ZnSb

Identifiants

DOI: 10.1021/acsenergylett.2c01961 PMID: 36398093 PMC: PMC9664443
pubmed: 36398093
doi: 10.1021/acsenergylett.2c01961
pmc: PMC9664443
doi:

Types de publication

Journal Article

Langues

eng

Pagination

3807-3816

Informations de copyright

© 2022 The Authors. Published by American Chemical Society.

Déclaration de conflit d'intérêts

The authors declare no competing financial interest.

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Auteurs

Adam J Jackson (AJ)

Scientific Computing Department, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0QX, U.K.

Benjamin J Parrett (BJ)

London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gordon Street, LondonWC1E 6BT, U.K.
Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.

Joe Willis (J)

Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.
Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.
Thomas Young Centre, University College London, Gower Street, LondonWC1E 6BT, U.K.
ORCID: 0000-0002-1900-2677

Alex M Ganose (AM)

Department of Materials, Imperial College London, Exhibition Road, LondonSW7 2AZ, U.K.
ORCID: 0000-0002-4486-3321

W W Winnie Leung (WWW)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.

Yuhan Liu (Y)

London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gordon Street, LondonWC1E 6BT, U.K.
Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.

Benjamin A D Williamson (BAD)

Department of Materials Science and Engineering, Norwegian University of Science and Technology (NTNU), Trondheim7491, Norway.
ORCID: 0000-0002-6242-1121

Timur K Kim (TK)

Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.
ORCID: 0000-0003-4201-4462

Moritz Hoesch (M)

London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gordon Street, LondonWC1E 6BT, U.K.
Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.
ORCID: 0000-0002-0114-2110

Larissa S I Veiga (LSI)

London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gordon Street, LondonWC1E 6BT, U.K.
Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.

Raman Kalra (R)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.

Jens Neu (J)

Department of Chemistry, Yale University, New Haven, Connecticut06520-8107, United States.
ORCID: 0000-0002-1054-0444

Charles A Schmuttenmaer (CA)

Department of Chemistry, Yale University, New Haven, Connecticut06520-8107, United States.
ORCID: 0000-0001-9992-8578

Tien-Lin Lee (TL)

Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.

Anna Regoutz (A)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.
Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0DE, U.K.
ORCID: 0000-0002-3747-3763

Tung-Chun Lee (TC)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.
Institute of Materials Discovery, University College London, Malet Place, LondonWC1E 7JE, U.K.
ORCID: 0000-0002-3163-0000

Tim D Veal (TD)

Department of Physics and Stephenson Institute for Renewable Energy, University of Liverpool, LiverpoolL69 7ZF, U.K.
ORCID: 0000-0002-0610-5626

Robert G Palgrave (RG)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.
ORCID: 0000-0003-4522-2486

Robin Perry (R)

London Centre for Nanotechnology and Department of Physics and Astronomy, University College London, Gordon Street, LondonWC1E 6BT, U.K.
ISIS Pulsed Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, OxfordshireOX11 0QX, U.K.

David O Scanlon (DO)

Department of Chemistry, University College London, 20 Gordon Street, LondonWC1H 0AJ, U.K.
Thomas Young Centre, University College London, Gower Street, LondonWC1E 6BT, U.K.
ORCID: 0000-0001-9174-8601

Classifications MeSH