https://www.selleckchem.com/pr....oducts/elafibranor.h
An understanding of the interaction of water with perovskite is crucial in improving the structural stability of the perovskite. Hence, in this study, the structural and electronic properties of the γ-CsPbI3(22 perovskite surface upon the adsorption of water molecules have been investigated based on density functional theory calculations. Also, we perform first-principles ab initio molecular dynamics simulations (AIMD) to explore the structural stability of the γ-CsPbI3(22 perovskite surface in the presence of water molecules, a
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