Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory
Review article, 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
Author
A. Valdes
Gorlaeus Laboratories
Spanish National Research Council (CSIC)
J. Brillet
Swiss Federal Institute of Technology in Lausanne (EPFL)
Michael Graetzel
Swiss Federal Institute of Technology in Lausanne (EPFL)
H. Gudmundsdottir
University of Iceland
H. A. Hansen
Technical University of Denmark (DTU)
H. Jonsson
University of Iceland
Stanford University
P. Klupfel
University of Iceland
G. J. Kroes
Gorlaeus Laboratories
F. Le Formal
Swiss Federal Institute of Technology in Lausanne (EPFL)
I. C. Man
Technical University of Denmark (DTU)
Rafael Da Silva Martins
Chalmers, Applied Physics, Chemical Physics
J. K. Norskov
Stanford University
J. Rossmeisl
Technical University of Denmark (DTU)
K. Sivula
Swiss Federal Institute of Technology in Lausanne (EPFL)
Aleksandra Vojvodic
Stanford University
Michael Zäch
Chalmers, Applied Physics, Chemical Physics
Physical Chemistry Chemical Physics
1463-9076 (ISSN) 1463-9084 (eISSN)
Vol. 14 1 49-70Subject Categories (SSIF 2011)
Physical Chemistry
DOI
10.1039/c1cp23212f