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Point defects at grain boundaries can create structural instabilities and persistent deep traps in metal halide perovskites

Yifan Wu, Dongyu Liu, Weibin Chu, Bipeng Wang, Andrey S. Vasenko, Oleg V. Prezhdo

2024Nanoscale12 citationsDOIOpen Access PDF

Abstract

, the introduction of excess halide, highlighting the importance of proper defect passivation strategies. Long-lived GB structures with both deep and shallow trap states are found, rationalizing the contradictory statements in the literature regarding the influence of MHP GBs on performance.

Topics & Concepts

HalideMaterials scienceGrain boundaryPerovskite (structure)MetalPoint (geometry)Crystallographic defectChemical physicsNanotechnologyCondensed matter physicsComposite materialMetallurgyInorganic chemistryCrystallographyChemistryPhysicsMicrostructureGeometryMathematicsPerovskite Materials and ApplicationsAdvancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materials