Solvent-mediated crystallization and defect passivation mechanisms in ambient-air MAPbI₃ films: a combined experimental and simulation study

Abstract

segregation, which passivates grain boundaries and modulates trap-assisted recombination. These structural and photophysical changes are correlated with carrier lifetimes using time-resolved photoluminescence measurements and the simulated device performance using SCAPS-1D. We find that a DMF : DMSO ratio of (6 : 4) enhances the interplay between crystalline order, the energy disorder (Urbach tail), and the charge transport. Our findings provide mechanistic insights into how solvent coordination controls defect landscapes and interface energetics in perovskite films, offering a framework for rational solvent design in ambient-stable photovoltaics.