ChemCatChem · 2012 · 163 citations · 18 references
Natural SciencesChemistryMaterials ScienceInorganic ChemistryMaterials ChemistryPhysical ChemistryOxygen EvolutionPhotocatalysisPhotochemistryPhotoelectrochemical MaterialsRedox-active MaterialsWater OxidationBand GapBand Gap EngineeringImpurity StatesPhotocatalytic Oxygen EvolutionPhotocatalytic Water SplittingVisible-light PhotocatalysisWater SplittingWater-splitting Catalysts
A band better than the Beatles? Tungsten oxide doping by hafnium induces a shift of the valence and conduction bands towards higher energies without losing the visible light absorption properties of the material and introducing impurity states in the gap. The new band edges position with respect to the redox potentials for both H2 and O2 evolution is suitable for efficient water splitting.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13