Thermodynamic stability of mixed Pb:Sn methyl-ammonium halide perovskites

Ksenia Korshunova, Lars Winterfeld, Wichard J. D. Beenken +1

Using density functional theory, we investigate systematically mixed MA(Pb:Sn)X3 perovskites, where MA is CH3NH3+, and X is Cl, Br, or I. Ab initio calculations of the orthorhombic…