Toward stabilization of formamidinium lead iodide perovskites by defect control and composition engineering

Abstract Phase instability poses a serious challenge to the commercialization of formamidinium lead iodide (FAPbI3)-based solar cells and optoelectronic devices. Here, we combine density functional theory and machine learning molecular dynamics simulations, to investigate the mechanism driving the u...

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Bibliographic Details
Main Authors: Yuhang Liang, Feng Li, Xiangyuan Cui, Taoyuze Lv, Catherine Stampfl, Simon P. Ringer, Xudong Yang, Jun Huang, Rongkun Zheng
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-46044-x