Study of structural, electronic and optical properties of co-doped CeO2 using the density functional theory (DFT) method
Mahtab Ullah, Anwar Manzoor Rana, Ujala Mehtab, Muhammad Umer Farooq
Topics & Concepts
Density functional theoryMaterials scienceDopingAtomic orbitalBand gapAtomic physicsAtom (system on chip)Electronic structureMolecular orbitalValence (chemistry)Hybrid functionalMolecular physicsElectronCondensed matter physicsComputational chemistryOptoelectronicsMoleculeChemistryPhysicsEmbedded systemQuantum mechanicsComputer scienceOrganic chemistryCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsRadioactive element chemistry and processing