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Route to stable lead-free double perovskites with the electronic structure of CH3NH3PbI3: a case for mixed-cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6

Abstract:

During the past year, halide double perovskites attracted attention as potential lead-free alternatives to Pb-based halide perovskites. However, none of the compounds discovered so far can match the optoelectronic properties of MAPbI3 (MA = CH3NH3). Here we argue that, from the electronic structure viewpoint, the only option to make Pb-free double perovskites retaining the remarkable properties of MAPbI3 is to combine In and Bi as B(+) and B(3+) cations, respectively. While inorganic double p...

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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.7b01584

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Department:
Oxford, MPLS, Materials
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Author
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Department:
Oxford, MPLS, Condensed Matter Physics
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Department:
Oxford, MPLS, Condensed Matter Physics
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Department:
Wolfson College
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Grant:
Horizon 2020 grant no. 696656 - GrapheneCore1
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry Letters Journal website
Volume:
8
Pages:
3917–3924
Publication date:
2017-07-26
Acceptance date:
2017-07-26
DOI:
ISSN:
1948-7185
Pubs id:
pubs:709434
URN:
uri:ccf90e28-a6ac-4d9b-a067-0252e3b109c7
UUID:
uuid:ccf90e28-a6ac-4d9b-a067-0252e3b109c7
Local pid:
pubs:709434
Language:
English

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