Effect of metal and non metal doping of TiO2 on photocatalytic activities: ab initio calculations
F. Mezzat, H. Zaari, A. El Kenz, A. Benyoussef
Topics & Concepts
PhotocatalysisMaterials scienceDopantDopingAb initioBand gapTitanium dioxideValence (chemistry)Density functional theoryAb initio quantum chemistry methodsHybrid functionalElectronic structureVisible spectrumElectronic band structureChemical physicsOptoelectronicsComputational chemistryCondensed matter physicsChemistryMoleculeCatalysisComposite materialPhysicsBiochemistryOrganic chemistryAdvanced Photocatalysis TechniquesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications