Kinetics and energetics of metal halide perovskite conversion reactions at the nanoscale

Abstract Understanding the kinetics and energetics of metal halide perovskite formation, particularly from structural point view at nanoscale, is important for advancement devices. In particular, insight needed regarding mechanisms by which conversion reactions occur, their kinetics. Here, we examine evolution precursor phases using in situ synchrotron x-ray scattering. This approach mitigates issues associated with illumination electron beam-based techniques allows conclusions to be drawn these reactions. We find that grain orientation strongly depend on both lead framework nature A-cation, fastest MAPbI 3 , followed FAPbI slowest MAPbBr . Molecular dynamics simulations density functional theory calculations further reveal are diffusion-controlled a hopping time 5-400 s, corroborating experimental findings.