Physical Chemistry Chemical Physics · 2011 · 217 citations · 112 references
Natural SciencesChemistryMaterials ScienceElectrochemistryNanomaterialsSemiconductor MaterialsMetal Oxide NanomaterialsMetal OxidesPhotocatalysisPhotochemistryPhotoelectrochemistrySemiconductor NanomaterialsHydrogen ProductionNanoparticlesPhotocatalysis By Metal Oxide NanomaterialsPhotocatalytic Water SplittingPhotoelectrochemical Water SplittingSolar PhotocatalysisTransition Metal OxidesWater Splitting
An overview of a collaborative experimental and theoretical effort toward efficient hydrogen production via photoelectrochemical splitting of water into di-hydrogen and di-oxygen is presented here. We present state-of-the-art experimental studies using hematite and TiO(2) functionalized with gold nanoparticles as photoanode materials, and theoretical studies on electro and photo-catalysis of water on a range of metal oxide semiconductor materials, including recently developed implementation of self-interaction corrected energy functionals.
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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
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text