Impact of alkaline-earth doping on electronic properties of the photovoltaic perovskite CsSnI: insights from a DFT perspective.

The oxidation of Sn(II) to the more stable Sn(IV) degrades the photovoltaic perovskite material CsSnI; however, this problem can be counteracted alkaline-earth (AE) doping. In this work, the electronic properties of CsSnAEI, with = 0 and 0.25, and AE = Mg and Ca, were investigated Density Functional Theory.