The Library
Local hydroxyl adsorption geometry on TiO_{2}(110)
Tools
Tools
Tools
Unterberger, W. (Werner), Lerotholi, T. J., Kröger, E. A., Knight, M. J., Duncan, David A., Kreikemeyer-Lorenzo, D., Hogan, K. A., Jackson, D. C., Włodarczyk, R., Sierka, M., Sauer, J. (Joachim) and Woodruff, D. P. (2011) Local hydroxyl adsorption geometry on TiO_{2}(110). Physical Review B (Condensed Matter and Materials Physics), Vol.84 (No.11). article no. 115461 . doi:10.1103/PhysRevB.84.115461 ISSN 1098-0121.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1103/PhysRevB.84.115461
Abstract
The local structure of the hydroxyl species on the rutile TiO2(110) surface has been determined both experimentally and computationally. The experimental study exploited chemical state–specific O 1s scanned-energy mode photoelectron diffraction from a surface exposed to atomic hydrogen, while density functional theory calculations were used to provide complementary information. As expected on the basis of previous studies, the bridging O atoms of the clean surface are hydroxylated, but this causes surprisingly small changes in the surrounding surface relaxation. Experiment and theory are in good agreement regarding the magnitude of these atomic movements. Specifically, the Ti-OOH surface bond is significantly longer (by 0.10–0.15 Å) than that of Ti-Obridging bonds on the clean surface.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
| Library of Congress Subject Headings (LCSH): | Adsorption, Titanium dioxide -- Absorption and adsorption, Density functionals | ||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
| Publisher: | American Physical Society | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | 2011 | ||||
| Dates: |
|
||||
| Volume: | Vol.84 | ||||
| Number: | No.11 | ||||
| Number of Pages: | 7 | ||||
| Page Range: | article no. 115461 | ||||
| DOI: | 10.1103/PhysRevB.84.115461 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published |
Request changes or add full text files to a record
Repository staff actions (login required)
 |
View Item |
