Pb-Less and Pb-Free Hybrid and Full Inorganic Halide Perovskites for Solar Energy Conversion: Insights from First-Principles

The last decade has witnessed a revolution in the field of solar conversion because of the rise and development of solar devices exploiting hybrid halide organic-inorganic perovskites (OIHPs). [1] Such class of materials whose stoichiometric relationship of the 3D bulk systems is ABX 3 (A=organic cation; B=Pb, Sn, Ge; X=halide) are mainly represented by the archetypal compound MAPbI 3 ($\mathrm{MA}=\mathrm{CH}_3 \mathrm{NH}_3^{+}$, methylammonium).