Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory
Artikel i vetenskaplig tidskrift, 2012

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.

initio molecular-dynamics

reaction

density-functional approximations

rutile tio2(110) surface

total-energy calculations

electronic-structure

basis-set

wave

self-interaction correction

effective core potentials

water oxidation

oxygen evolution

Författare

A. Valdes

Gorlaeus Laboratories

CSIC - Instituto de Fisica Fundamental (IFF)

J. Brillet

Ecole Polytechnique Federale De Lausanne

Michael Graetzel

Ecole Polytechnique Federale De Lausanne

H. Gudmundsdottir

Háskóli Íslands

H. A. Hansen

Danmarks Tekniske Universitet (DTU)

H. Jonsson

Stanford University

Háskóli Íslands

P. Klupfel

Háskóli Íslands

G. J. Kroes

Gorlaeus Laboratories

F. Le Formal

Ecole Polytechnique Federale De Lausanne

I. C. Man

Danmarks Tekniske Universitet (DTU)

Rafael Da Silva Martins

Chalmers, Teknisk fysik, Kemisk fysik

J. K. Norskov

Stanford University

J. Rossmeisl

Danmarks Tekniske Universitet (DTU)

K. Sivula

Ecole Polytechnique Federale De Lausanne

Aleksandra Vojvodic

Stanford University

Michael Zäch

Chalmers, Teknisk fysik, Kemisk fysik

Physical Chemistry Chemical Physics

1463-9076 (ISSN) 1463-9084 (eISSN)

Vol. 14 1 49-70

Ämneskategorier

Fysikalisk kemi

DOI

10.1039/c1cp23212f