Konrad Wilke

Anisotropic Defect Diffusion in Layered CsPbBr x I3– x Perovskites

Abstract Mixed-halide perovskites offer a route to enhance phase stability and modify optoelectronic properties. Here, we use large-scale molecular dynamics simulations with a reactive force field to investigate defects in CsPbBrxI3–x perovskites, focusing on how defect mobility...