Статья

Study of double perovskites X2InSbO6 (X = Sr, Ba) for renewable energy; alternative of organic-inorganic perovskites

Mohammed A. AminDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi ArabiaGhazanfar NazirDepartment of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul, 05006, Republic of KoreaQ. MahmoodBasic & Applied Scientific Research Center and Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam, 31441 Saudi ArabiaJameela AlzahraniBasic & Applied Scientific Research Center and Department of Physics, College of Science, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam, 31441 Saudi ArabiaNessrin A. KattanDepartment of Physics, Faculty of Science, Taibah University, Medina, Saudi ArabiaAbeer MeraDepartment of Physics, College of Arts and Science, Prince Sattam Bin Abdulaziz University, Wadi Addawasir, 11991, Saudi ArabiaHidayath MirzaDepartment of Electrical Engineering, Jazan University, Jazan, Saudi ArabiaAmine MezniDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi ArabiaMoamen S. RefatDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi ArabiaAdil A. GobouriDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi ArabiaTariq AltalhiDepartment of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

2022en

ABI

Аннотация

Nowadays double perovskites for renewable energy are emerging materials because of their interesting properties such as simple and stable crystal structure. In our study, we theoretically explored the optoelectronic along with mechanical and thermoelectric characteristics of X2InSbO6 (X = Sr, Ba) using density functional theory followed by Wein2k code. The thermodynamic and structural stabilities are determined based on the enthalpy of formation and tolerance factor. The ductile and brittle behavior has been checked by Passion and Pugh's ratios. The measured values of energy band gaps are 2.55 eV for Sr2InSbO6, and 1.75 eV for Ba2InSbO6. These compositions are potentially used in optoelectronic applications because their electronic characteristics are controllable. In the energy range 0–12 eV, the compositions under consideration exhibit a single-peaked response while the replacement of cation Sr with Ba caused a shift in optical structures towards lower energies. These compositions are also suitable for thermoelectric systems as they possess high values of the figure of merits at room temperature and the measured values are 0.77 for Sr2InSbO6 and 0.75 for Ba2InSbO6 are recorded.

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Идентификаторы

DOI: 10.1016/j.jmrt.2022.04.114

Цитирования и источники

Цитирований: 2Использованных источников: 0

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