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Band gaps of the lead-free halide double perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from theory and experiment

Abstract:

The recent discovery of lead-free halide double perovskites with band gaps in the visible represents an important step forward in the design of environmentally friendly perovskite solar cells. Within this new family of semiconductors, Cs2BiAgCl6 and Cs2BiAgBr6 are stable compounds crystallizing in the elpasolite structure. Following the recent computational discovery and experimental synthesis of these compounds, a detailed investigation of their electronic properties is warranted in order to...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted manuscript

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Publisher copy:
10.1021/acs.jpclett.6b01041

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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
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Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
More from this funder
Grant:
(FP7/2007-2013) Grant 604391; 239578 (ALIGN); 604032 (MESO)
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry Letters Journal website
Volume:
7
Issue:
13
Pages:
2579–2585
Publication date:
2016-06-20
DOI:
EISSN:
1948-7185
URN:
uuid:6301d58c-5825-4f00-9f0e-11b2aa4b78a3
Source identifiers:
630891
Local pid:
pubs:630891
Language:
English

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