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Exploring the transposition effects on the electronic and optical properties of Cs2AgSbCl6 via a combined computational-experimental approach

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Abstract

The electronic and optical properties of perovskites are related to the local structures of the compounds and define their functional applications. Herein we have prepared a double perovskite Cs2AgSbCl6, which crystallized in the cubic structure with the space group Fm-3m and the material is found to have a varied band gap associated with different body colors. The anti-site defect model was established to investigate transposition influence on the optical and electronic properties of the double-perovskite Cs2AgSbCl6, and the proposed model clearly explained the as-observed variable body color. Cs2AgSbCl6 perovskite has a high decomposition temperature and is stable upon prolonged exposure to air and moisture, which emphasize its potential in the field of photovoltaic absorbers and optoelectronic applications.

Graphical abstract: Exploring the transposition effects on the electronic and optical properties of Cs2AgSbCl6 via a combined computational-experimental approach

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Publication details

The article was received on 15 Nov 2017, accepted on 27 Dec 2017 and first published on 28 Dec 2017


Article type: Paper
DOI: 10.1039/C7TA10062K
Citation: J. Mater. Chem. A, 2018, Advance Article
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    Exploring the transposition effects on the electronic and optical properties of Cs2AgSbCl6 via a combined computational-experimental approach

    J. Zhou, X. Rong, M. S. Molokeev, X. Zhang and Z. Xia, J. Mater. Chem. A, 2018, Advance Article , DOI: 10.1039/C7TA10062K

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