Geometry of α-Cr2O3(0001) as a Function of H2O Partial Pressure
| Autor: | Ahmed, M H M, Torrelles, X, Treacy, J P W, Hussain, H, Nicklin, C, Wincott, P L, Vaughan, D J, Thornton, G, Lindsay, R, M. H. M. Ahmed, X. Torrelles, J.P.W. Treacy, H. Hussain, C. Nicklin, P. L. Wincott, D. J. Vaughan, G. Thornton, and R. Lindsay |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Langmuir
Ultra-high vacuum Analytical chemistry chemistry.chemical_element Nanotechnology Partial pressure ab-initio surface water Surfaces Coatings and Films Electronic Optical and Magnetic Materials Chemistry Chromium General Energy Adsorption chemistry Ab initio quantum chemistry methods Desorption Atom Physical and Theoretical Chemistry |
| Zdroj: | Ahmed, M H M, Torrelles, X, Treacy, J P W, Hussain, H, Nicklin, C, Wincott, P L, Vaughan, D J, Thornton, G & Lindsay, R 2015, ' Geometry of alpha-Cr2O3(0001) as a Function of H2O Partial Pressure ', The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, vol. 119, no. 37, pp. 21426-21433 . https://doi.org/10.1021/acs.jpcc.5b04607 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | Surface X-ray diffraction has been employed to elucidate the surface structure of alpha-Cr2O3(0001) as a function of water partial pressure at room temperature. In ultra high vacuum, following exposure to similar to 2000 Langmuir of H2O, the surface is found to be terminated by a partially occupied double layer of chromium atoms. No evidence of adsorbed OH/H2O is found, which is likely due to either adsorption at minority sites, or X-ray induced desorption. At a water partial pressure of,similar to 30 mbar, a single OH/H2O species is found to be bound atop each surface Cr atom. This adsorption geometry does not agree with that predicted by ab initio calculations, which may be a result of some differences between the experimental conditions and those modeled. ISI Document Delivery No.: CS1ZU Ahmed, M. H. M. Torrelles, X. Treacy, J. P. W. Hussain, H. Nicklin, C. Wincott, P. L. Vaughan, D. J. Thornton, G. Lindsay, R. Physical, Chemical & Earth Sciences (PCES) 0 Amer chemical soc Washington |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|