Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2(Cl1- xBrx)5 | Научно-инновационный портал СФУ

Synthesis, Crystal Structure, and Optical Gap of Two-Dimensional Halide Solid Solutions CsPb2(Cl1- xBrx)5

Тип публикации: статья из журнала

Год издания: 2018

Идентификатор DOI: 10.1021/acs.inorgchem.8b01572

Аннотация: 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 CsPb2Cl5 and the anion-exchange phase formation of CsPb2(Cl1-xBrx)5 (x = 0-1) solid solutions. The CsPb2(Cl1-xBrx)5 crystal structures, which crystallize in the tetragonal system, space group I4/mcm, with parameters similar to those of CsPb2Cl5, 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 CsPb2(Cl1-xBrx)5 solid solutions can be tuned over the range of 4.5-3.8 eV by anion substitution. © 2018 American Chemical Society.

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Издание

Журнал: Inorganic Chemistry

Выпуск журнала: Vol. 57, Is. 15

Номера страниц: 9531-9537

Авторы

  • Chen Y. (Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China)
  • Molokeev M.S. (Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation, Siberian Federal University, Krasnoyarsk, Russian Federation, Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation)
  • Atuchin V.V. (Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russian Federation, Functional Electronics Laboratory, Tomsk State University, Tomsk, Russian Federation, Laboratory of Single Crystal Growth, South Ural State University, Chelyabinsk, Russian Federation)
  • Reshak A.H. (New Technologies Research Centre, University of West Bohemia, Univerzitni 8, Pilsen, Czech Republic, Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh, Saudi Arabia)
  • Auluck S. (National Physical Laboratory, Council of Scientific and Industrial Research, Dr. K. S. Krishnan Marg, New Delhi, India)
  • Alahmed Z.A. (Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh, Saudi Arabia)
  • Xia Z. (Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China)

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