An experimental data library for the full CsPb(ClxBr1−x)3 compositional series

Abstract

A complete series of CsPb(ClxBr1−x)3 mixed-halide perovskites with x = 0-1 in small steps is reported, and their structural and optical properties characterised. A comparison of synthetic approaches shows that mechanosynthesis yields the most robust data across the compositions, avoiding solvent inclusion or miscibility gaps. The resulting data library, including some hitherto unreported compositions, can serve as a benchmark for future computational modelling.