Heterogeneity of grain boundary properties in Cu2ZnSnS4 : A first-principles study

Hao, Ning Jing, Ding, Rui Xue, Tong, Chuan Jia et al. (1 more author) (2023) Heterogeneity of grain boundary properties in Cu2ZnSnS4 : A first-principles study. Journal of Applied Physics. 145002. ISSN 1089-7550

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Funding Information: C.-J.T. acknowledges support by the National Natural Science Foundation (No. 12104515). N.-J.H. and R.-X.D. acknowledge support from National College Students' innovation and entrepreneurship training program (No. 2022105330185). K.P.M. acknowledges support from EPSRC (Nos. EP/K003151/1, EP/P006051/1, and EP/P023843/1). This work made use of the facilities of Archer, the United Kingdom's national high-performance computing service, via our membership in the UK HPC Materials Chemistry Consortium, which is funded by EPSRC (Nos. EP/L000202/1 and EP/R029431/1). This project also made use of the Viking Cluster, which is a high-performance computation facility provided by the University of York. We are grateful for resources from the High-Performance Computing Center of Central South University and Hefei Advanced Computing Center. All data created during this research are available by request from the University of York Research database at https://doi.org/10.15124/32bf9075-80ee-4f08-b93c-53f2398d7c84 . Publisher Copyright: © 2023 Author(s).

Dates:
  • Accepted: 25 March 2023
  • Published: 14 April 2023
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 01 Jun 2023 09:20
Last Modified: 20 Apr 2024 23:19
Published Version: https://doi.org/10.1063/5.0147435
Status: Published
Refereed: Yes
Identification Number: https://doi.org/10.1063/5.0147435
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Description: 145002_1_5.0147435

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