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
Research Areas
SUNCAT People