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Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting

Abstract:

Halide double perovskites based on combinations of monovalent and trivalent cations have been proposed as promising lead-free alternatives to lead halide perovskites. Among the newly synthesized compounds Cs2BiAgCl6, Cs2BiAgBr6, Cs2SbAgCl6, and Cs2InAgCl6, some exhibit bandgaps in the visible range and all have low carrier effective masses; therefore, these materials constitute potential candidates for various opto-electronic applications. Here, we use first-principles calculations to investi...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/1.5035274

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Materials
Role:
Author
ORCID:
0000-0003-3047-2298
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Oxford college:
Wolfson College
Role:
Author
More from this funder
Grant:
696656 - GrapheneCore1
Publisher:
AIP Publishing Publisher's website
Journal:
Applied Physics Letters Journal website
Volume:
112
Issue:
24
Article number:
243901
Publication date:
2018-06-12
Acceptance date:
2018-05-18
DOI:
EISSN:
1077-3118
ISSN:
0003-6951
Source identifiers:
864498
Pubs id:
pubs:864498
UUID:
uuid:38468a35-cc9e-4380-95a3-b9ac9286e91d
Local pid:
pubs:864498
Deposit date:
2018-08-03

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