Tuning the electronic dimensionality and bandgap in Cs2AgBiX6 (X = Br, Cl) for photovoltaics: A DFT-1/2 study of cation disorder

Nontoxic, stable, and experimentally realized lead-free halide double perovskites, Cs 2 AgBiX 6 (X= Br, Cl) attracted much attention for solar cell applications. However, their reduced electronic dimensionality and indirect (wide) bandgap, limiting...