Critical Role of Water in Defect Aggregation and Chemical Degradation of Perovskite Solar Cells.


The chemical stability of methylammonium lead iodide (MAPbI3) under humid conditions remains the primary challenge facing halide perovskite solar cells. We investigate defect processes in the water-intercalated iodide perovskite (MAPbI3_H2O) and monohydrated phase (MAPbI3·H2O) within a first-principles thermodynamic framework. We consider the formation… (More)
DOI: 10.1021/acs.jpclett.8b00406


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