Theoretical study of the Sb-substitution effect on the optoelectronic properties of Cs2AgBiBr6 double perovskite

Theoretical study of the Sb-substitution effect on the optoelectronic properties of Cs2AgBiBr6 double perovskite

We analyzed the structure of the double perovskite Cs2AgBiBr6 utilizing Density Functional Theory (DFT), adding different doping concentrations of the Sb atom (Cs2AgBi1-x SbxBr6, with x = 0.0625, 0.125, 0.1875). The investigation concentrated on the electronic structure of both pure and doped config...

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Bibliographic Details
Main Authors: Lhouceine Moulaoui, Abdelhafid Najim, Marouane Archi, Mohamed Al-Hattab, Omar Bajjou, Anass Bakour, Youssef Lachtioui, Khalid Rahmani, Bouzid Manaut
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Results in Chemistry
Subjects:
Double perovskite
Cs2AgBiBr6
DFT
TDOS
Bandgap
PV application
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625000086
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