Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory
Reviewartikel, 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.
oxygen evolution
density-functional approximations
reaction
total-energy calculations
basis-set
wave
rutile tio2(110) surface
water oxidation
self-interaction correction
initio molecular-dynamics
electronic-structure
effective core potentials
Författare
A. Valdes
Gorlaeus Laboratories
Consejo Superior de Investigaciones Científicas (CSIC)
J. Brillet
Ecole Polytechnique Federale de Lausanne (EPFL)
Michael Graetzel
Ecole Polytechnique Federale de Lausanne (EPFL)
H. Gudmundsdottir
Háskóli Íslands
H. A. Hansen
Danmarks Tekniske Universitet (DTU)
H. Jonsson
Háskóli Íslands
Stanford University
P. Klupfel
Háskóli Íslands
G. J. Kroes
Gorlaeus Laboratories
F. Le Formal
Ecole Polytechnique Federale de Lausanne (EPFL)
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 (EPFL)
Aleksandra Vojvodic
Stanford University
Michael Zäch
Chalmers, Teknisk fysik, Kemisk fysik
Physical Chemistry Chemical Physics
1463-9076 (ISSN) 1463-9084 (eISSN)
Vol. 14 1 49-70Ämneskategorier (SSIF 2011)
Fysikalisk kemi
DOI
10.1039/c1cp23212f