Effect of oxygen vacancy concentration on the photocatalytic hydrogen evolution performance of anatase TiO2: DFT and experimental studies
Shufang Jia, Jiaqi Gao, Qianqian Shen, Jinbo Xue, Zhuxia Zhang, Xuguang Liu, Husheng Jia
Topics & Concepts
AnataseDensity functional theoryMaterials scienceVacancy defectHybrid functionalWater splittingElectronic structureMulliken population analysisWork functionChemical physicsPhotocatalysisAcceptorComputational chemistryChemistryNanotechnologyCondensed matter physicsCrystallographyCatalysisPhysicsLayer (electronics)BiochemistryAdvanced Photocatalysis TechniquesTiO2 Photocatalysis and Solar CellsCatalytic Processes in Materials Science