Title: Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2 (Cl1-xBrx)(5)
Authors: Chen, Yibao
Molokeev, Maxim S.
Atuchin, Victor V.
Al-Jaary, Ali H. Reshak
Auluck, Sushil
Alahmed, Zeyad A.
Xia, Zhiguo
Citation: CHEN, Y., MOLOKEEV, M. S., ATUCHIN, V. V., AL-JAARY, A. H. R., AULUCK, S., ALAHMED, Z. A., XIA, Z. Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2 (Cl1-xBrx)(5). INORGANIC CHEMISTRY, 2018, roč. 57, č. 15, s. 9531-9537. ISSN: 0020-1669
Issue Date: 2018
Publisher: American Chemical Society
Document type: článek
URI: 2-s2.0-85051193522
ISSN: 0020-1669
Keywords in different language: Light-emitting-diodes;surface chemical-stability;electronic-structure;iluminescence properties;vibrational properties;thermal-expansion;single-crystals;anion-exchange;nanoplatelets;parameters
Abstract in different language: 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.
Rights: Plný text není přístupný.
© American Chemical Society
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