Structural, electronic, optical and mechanical properties of Zn-doped MAPbI3 perovskites and absorber layer efficiencies: An ab-initio investigation
Rishikanta Mayengbam, S. K. Tripathy, Gopinath Palai
Topics & Concepts
Materials scienceDensity functional theoryPerovskite (structure)DopingEnthalpyHalideAb initioHybrid functionalLocal-density approximationElectronic structureComputational chemistryThermodynamicsInorganic chemistryOptoelectronicsCrystallographyChemistryPhysicsOrganic chemistryPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography