Citation

BibTex format

@inproceedings{Patel:2011,
author = {Patel, M and Mallia, G and Liborio, L and Harrison, NM},
publisher = {NSTI},
title = {A Hybrid Density Functional Study of Water Adsorption on Rutile TiO2(110) for Applications in Solar Hydrogen Production},
url = {http://www.nsti.org/},
year = {2011}
}

RIS format (EndNote, RefMan)

TY  - CPAPER
AB - Theoretical and experimental methods are adopted in order to gain further understanding of photocatalytic water splitting over the semiconductor TiO2. Periodic density functional theory calculations are used to study the adsorption of water on the rutile TiO2(110) surface. Results of studying the influence of acidic surface species on the energetics of the system are compared with new experimental measurements of the kinetics (using transient absorption spectroscopy) and photocurrent (photoelectrochemical set-up) as a function of pH.
AU - Patel,M
AU - Mallia,G
AU - Liborio,L
AU - Harrison,NM
PB - NSTI
PY - 2011///
TI - A Hybrid Density Functional Study of Water Adsorption on Rutile TiO2(110) for Applications in Solar Hydrogen Production
UR - http://www.nsti.org/
UR - http://hdl.handle.net/10044/1/11012
ER -

Computational Materials Science

Computational Materials Science