Revealing the influence of B-site doping on the physical properties of CsPbI3: A DFT investigation
Rongjian Sa, Benlong Luo, Zuju Ma, Luting Liang, Diwen Liu
Topics & Concepts
DopingBand gapDensity functional theoryChemistryDirect and indirect band gapsTransition metalMetalElectronic band structureElectronic structureCrystallographyMaterials scienceComputational chemistryCondensed matter physicsOptoelectronicsCatalysisPhysicsOrganic chemistryBiochemistryPerovskite Materials and ApplicationsOptical properties and cooling technologies in crystalline materialsChalcogenide Semiconductor Thin Films