Evaluating the performance of Cs2PtI6−xBrx for photovoltaic and photocatalytic applications using first-principles study and SCAPS-1D simulation
All inorganic free-lead halide double perovskites are attractive materials in solar energy harvesting applications. In this study, density functional theory calculations have been used to predict the structures, band structures, and density of states of Cs2PtI6−xBrx with (x = 0, 2, 4, and 6). The op...
Main Authors: | Hadeer H. AbdElAziz, Mohamed Taha, Waleed M.A. El Rouby, M.H. Khedr, Laila Saad |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2022-10-01
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Series: | Heliyon |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844022020965 |
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