Understanding liquefaction in halide perovskites upon methylamine gas exposure.

ABSTRACT: Methylamine (CH₃NH₂, MA) gas-induced fabrication of organometal CH₃NH₃PbI₃ based perovskite thin films are promising photovoltaic materials that transform the energy from absorbed sunlight into electrical power. Unfortunately, the low stability of the perovskites poses a serious hindrance for further development, compared to conventional inorganic materials. The solid-state perovskites are liquefied and recrystallized from CH₃NH₂. However, the mechanism of this phase transformation is far from clear. Employing first principles calculations and ab initio molecular dynamics simulations, we investigated the formation energy of primary defects in perovskites and the liquefaction process in CH₃NH

SUBMITTER: Zhou W 

PROVIDER: S-EPMC9033983 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature