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

Authors
Álvaro Valdés,
Jeremie Brillet,
Michael Grätzel,
Hildur Gudmundsdóttir,
Heine A. Hansen,
Hannes Jónsson,
Peter Klüpfel,
Geert-Jan Kroes,
Florian Le Formal,
Isabela C. Man,
Rafael S. Martins,
Jens K. Nørskov,
Jan Rossmeisl,
Kevin Sivula,
Aleksandra Vojvodic,
Michael Zäch
Year of publication
2012
Journal
Physical Chemistry Chemical Physics
Issue
1
Volume
14
Starting page
49
Ending page
70
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 TiO2 ...
Keywords
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
Funding sources