Bidentate Lewis bases are preferred for passivation of MAPbI3 surfaces: A time-domain ab initio analysis
Jinlu He, Wei‐Hai Fang, Run Long, Oleg V. Prezhdo
Topics & Concepts
PassivationMaterials scienceDensity functional theoryChemical physicsAb initioDenticityElectronPhotochemistryComputational chemistryNanotechnologyChemistryMetalPhysicsOrganic chemistryMetallurgyLayer (electronics)Quantum mechanicsPerovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films