DFT calculation insights into effects of N-doped WO3 at different sites on electronic structure, optical property and photocatalytic activity
Shaomang Wang, Yuan Guan, Zhiqian Zheng, Qiongdie Du, Zhongyu Li
Topics & Concepts
DopingMaterials sciencePhotocatalysisOxidizing agentElectronic structureBand gapAbsorption edgeAbsorption (acoustics)Valence bandAtom (system on chip)Work functionChemical physicsPhotochemistryNanotechnologyOptoelectronicsComputational chemistryCatalysisOrganic chemistryChemistryComputer scienceEmbedded systemComposite materialLayer (electronics)Transition Metal Oxide NanomaterialsGas Sensing Nanomaterials and SensorsAdvanced Photocatalysis Techniques