Thermodynamic and dynamic stability in a new potential Cs2AgAsCl6 perovskite: insight from DFT study

Autor: Tusar Saha, Md. Majibul Haque Babu, Md. Arifuzzaman, Jiban Podder
Rok vydání: 2022
Předmět:
Zdroj: Physical Chemistry Chemical Physics. 24:26609-26621
ISSN: 1463-9084
1463-9076
DOI: 10.1039/d2cp03152c
Popis: A schematic diagram of the possible energy band level for photocatalytic activity: (a) favorable energy band level, (b) unfavorable VBM, and (c) unfavorable CBM position.
Databáze: OpenAIRE