LAUSR

Organic–inorganic hybrid perovskite solar cells have recently been developed at an unprecedented rate as an emerging solar cell technology, with its certified power conversion efficiency (PCE) (23.7%) surpassing conventional thin-film contenders. However, the poor long-term stability and toxicity of Pb pose major setbacks to its commercialization. Theoretical calculations and experimental trail-and-error processes have recently aimed to find alternative perovskites, including inorganic halide perovskites (CsPbI3, CsPbIBr2, etc.), inorganic halide double perovskites (Cs2AgBiBr6, etc.), and chalcogenide single perovskites (BaZrS3, etc.). However, their material properties are inferior to hybrid perovskite in terms of cell performance and material toxicity. Here, a class of lead-free chalcogenide double perovskites A2M(III)M(V)X6 [A = Ca2+, Sr2+, Ba2+; M(III) = Bi3+ or Sb3+; M(V) = V5+, Nb5+, Ta5+; X = S2–, Se2–] are comprehensively investigated with respect to its stability and electronic and optical proper...