Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping
Article first published online: 24 JUL 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the 2012 Sanibel Symposium
Volume 112, Issue 24, pages 3867–3873, 15 December 2012
How to Cite
Zhang, Y. and Kilin, D. S. (2012), Computational modeling of wet TiO2 (001) anatase surfaces functionalized by transition metal doping. Int. J. Quantum Chem., 112: 3867–3873. doi: 10.1002/qua.24289
- Issue published online: 9 NOV 2012
- Article first published online: 24 JUL 2012
- Manuscript Accepted: 31 MAY 2012
- Manuscript Received: 21 MAY 2012
- Manuscript Revised: 21 MAY 2012
- South Dakota Governor's Office of Economic Development, NSF award EPS0903804, and DOE, BES–Chemical Sciences, NERSC Contract No. DE-AC02-05CH11231 (Award 85213 “Computational Modeling of Photo-catalysis and Photoinduced Charge Transfer Dynamics on Surfaces.”)
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