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Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory

Shaheen Akhtar, Syed Muahmmad Alay-e-Abbas, Javaria Batool, Waqas Zulfiqar, A. Laref, Ghulam Abbas, Nasir Amin

2020Journal of Physics and Chemistry of Solids36 citationsDOI

Topics & Concepts

Density functional theoryDopingMaterials scienceBand gapDopantElectronic structureHybrid functionalCondensed matter physicsAcceptorValence (chemistry)Electronic band structureComputational chemistryChemistryOptoelectronicsPhysicsOrganic chemistryPerovskite Materials and ApplicationsElectronic and Structural Properties of OxidesZnO doping and properties
Investigation of structural, electronic and optical properties of (V+P)-doped BaZrO3 for photocatalytic applications using density functional theory | Litcius