Exploring the transposition effects on the electronic and optical properties of Cs2AgSbCl6via a combined computational-experimental approach. Issue 5 (19th January 2018)

• Record Type: Journal Article
• Authors: Zhou, Jun; Rong, Ximing; Molokeev, Maxim S.; Zhang, Xiuwen; Xia, Zhiguo
• Is Part Of: Journal of materials chemistry. Volume 6:Issue 5(2018)
• Page Start: 2346
• Page End: 2352
• Publication Date: 2018-01-19
• Subjects: Materials -- Research -- Periodicals; Chemistry, Analytic -- Periodicals; Environmental sciences -- Research -- Periodicals; 543.0284
• DOI: 10.1039/c7ta10062k
• Languages: English
• ISSNs: 2050-7488

Abstract

Abstract : The anti-site defect model was established to investigate transposition influence on the optical and electronic properties of the double-perovskite Cs2 AgSbCl6 . 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 Cs2 AgSbCl6, which crystallized in the cubic structure with the space group Fm -3 m 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 Cs2 AgSbCl6, and the proposed model clearly explained the as-observed variable body color. Cs2 AgSbCl6 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.