Valdes, AlvaroBrillet, JeremieGraetzel, MichaelGudmundsdottir, HildurHansen, Heine A.Jonsson, HannesKluepfel, PeterKroes, Geert-JanLe Formal, FlorianMan, Isabela C.Martins, Rafael S.Norskov, Jens K.Rossmeisl, JanSivula, KevinVojvodic, AleksandraZach, Michael2012-01-052012-01-052012-01-05201210.1039/c1cp23212fhttps://infoscience.epfl.ch/handle/20.500.14299/76369WOS:000297593800004An 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 TiO2 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.Self-Interaction CorrectionDensity-Functional ApproximationsEffective Core PotentialsInitio Molecular-DynamicsOxygen Evolution ReactionTotal-Energy CalculationsRutile Tio2(110) SurfaceWave Basis-SetElectronic-StructureWater Oxidationtext::journal::journal article::research article