Origin of the stability of two-dimensional perovskites: a first-principles study
Yi Yang(Beijing Computational Science Research Center), Fei Gao(Beijing Computational Science Research Center), Shiwu Gao(Beijing Computational Science Research Center), Su‐Huai Wei(Beijing Computational Science Research Center)
Cited by 112
Abstract
The calculated formation energies indicate that CsBr(MAI)-terminated 2D perovskites are more stable than PbBr<sub>2</sub>(PbI<sub>2</sub>)-terminated 2D structures and an MAI-terminated monolayer could be even more stable than an MAPbI<sub>3</sub> bulk.