Chen, Yiba and Molokeev, Maxim S. and Atuchin, Victor V. and Reshak, Ali H. and Auluck, Sushil and Alahmed, Zeyad A. and Xia, Zhiguo (2018) Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2 (Cl1-xBrx)(5). Inorganic Chemistry, 57 (15). pp. 9531-9537. ISSN 0020-1669

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Exploring new perovskite-related solid-state materials and the investigating composition-dependent structural and physical properties are highly important for advanced functional material development. Herein, we present the successful hydrothermal synthesis of tetragonal CsPb<INF>2</INF>Cl<INF>5</INF> and the anion-exchange phase formation of CsPb<INF>2</INF>(Cl<INF>1-x</INF>Br<INF>x</INF>)<INF>5</INF> (x = 0-1) solid solutions. The CsPb<INF>2</INF>(Cl<INF></INF><INF>1-x</INF>Br<INF>x</INF>)<INF>5</INF> crystal structures, which crystallize in the tetragonal system, space group 14/mcm, with parameters similar to those of CsPb<INF>2</INF>Cl<INF>5</INF>, have been determined by Rietveld analysis. The optical band gap was obtained by UV-vis spectroscopy, and the band structure was further calculated by the full-potential method within the generalized gradient approximation. It was revealed that the band gap in CsPb<INF>2</INF>(Cl<INF>1-x</INF>Br<INF>x</INF>)<INF>5</INF> solid solutions can be tuned over the range of 4.5-3.8 eV by anion substitution.

Item Type: Article
Additional Information: Copyright for this article belongs to M/s American Chemical Society.
Subjects: Chemistry > Inorganic Chemistry
Depositing User: Mr. Yogesh Joshi
Date Deposited: 20 Nov 2019 11:40
Last Modified: 20 Nov 2019 11:40

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