[Show abstract][Hide abstract] ABSTRACT: 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.
Physical Chemistry Chemical Physics 11/2011; 14(1):49-70. · 4.20 Impact Factor
[Show abstract][Hide abstract] ABSTRACT: a b s t r a c t Composite TiO 2 /carbon thin films prepared by physical vapor deposition techniques on fused silica sub-strates show enhanced photocatalytic activity towards decomposition of methanol to CO 2 and water, as compared to pure TiO 2 films of similar thickness. Raman and XRD measurements confirm that annealed TiO 2 films exhibit anatase structure while the carbon layer becomes graphitic. Characteristic for the com-posite films is an enhanced optical absorption in the visible range. The presence of the carbon film causes a shift of the TiO 2 absorption edge and modifies its grain size to be smaller. We hypothesize that the observed enhancement of photocatalytic activity is due to synergy effects at the carbon/TiO 2 interface, resulting in smaller titania crystallite size and anisotropic charge carrier transport, which in turn reduces their recombination probability.
Journal of Molecular Catalysis A Chemical 01/2011; 335:136-144. · 3.19 Impact Factor