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

effective core potentials

wave

rutile tio2(110) surface

reaction

water oxidation

density-functional approximations

electronic-structure

total-energy calculations

basis-set

oxygen evolution

self-interaction correction

Författare

A. Valdes

CSIC - Instituto de Fisica Fundamental (IFF)

Gorlaeus Laboratories

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

Háskóli Íslands

Stanford Linear Accelerator Center

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 Linear Accelerator Center

J. Rossmeisl

Danmarks Tekniske Universitet (DTU)

K. Sivula

Ecole Polytechnique Federale De Lausanne

Aleksandra Vojvodic

Stanford Linear Accelerator Center

Michael Zäch

Chalmers, Teknisk fysik, Kemisk fysik

Physical Chemistry Chemical Physics

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

Vol. 14 49-70

Ämneskategorier

Fysikalisk kemi

DOI

10.1039/c1cp23212f