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Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

A. Valdes ; J. Brillet ; M. Gratzel ; H. Gudmundsdottir ; H. A. Hansen ; H. Jonsson ; P. Klupfel ; G. J. Kroes ; F. Le Formal ; I. C. Man ; Rafael Martins (Institutionen för teknisk fysik, Kemisk fysik) ; J. K. Norskov ; J. Rossmeisl ; K. Sivula ; A. Vojvodic ; Michael Zäch (Institutionen för teknisk fysik, Kemisk fysik)
Physical Chemistry Chemical Physics (1463-9076). Vol. 14 (2012), 1, p. 49-70.
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: self-interaction correction, density-functional approximations, effective core potentials, initio molecular-dynamics, oxygen evolution, reaction, total-energy calculations, rutile tio2(110) surface, wave, basis-set, electronic-structure, water oxidation



Denna post skapades 2012-01-03.
CPL Pubid: 151541

 

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Institutioner (Chalmers)

Institutionen för teknisk fysik, Kemisk fysik (1900-2015)

Ämnesområden

Fysikalisk kemi

Chalmers infrastruktur