Solar hydrogen production with semiconductor metal oxides : new directions in experiment and theory | SUNCAT - Center for Interface Science and Catalysis

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

Volume

Starting page

Ending page

DOI

10.1039/C1CP23212F

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

Research Areas

Photocatalysis,

Theoretical method development,

Fuel cell catalysis,

Bayesian error estimation functionals,

Artificial photosynthesis,

Electronic structure theory,

Electrocatalysis,

Electrochemical fuels

Funding sources

SUNCAT,

SUNCAT People