Enhanced moisture stability of cesium lead iodide perovskite solar cells – a first-principles molecular dynamics study
Dhana Lakshmi Busipalli, Kuan‐Yu Lin, Santhanamoorthi Nachimuthu, Jyh‐Chiang Jiang
Abstract
An understanding of the interaction of water with perovskite is crucial in improving stability. In this study, the structural and electronic properties of γ-CsPbI<sub>3</sub>(220) perovskite surface upon the water molecules adsorption are presented.
Topics & Concepts
CaesiumPerovskite (structure)MoistureIodideMolecular dynamicsLead (geology)Materials scienceStability (learning theory)Chemical engineeringChemistryChemical physicsInorganic chemistryComputational chemistryComposite materialGeologyOrganic chemistryMachine learningComputer scienceEngineeringGeomorphologyPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography