Adsorption of Ar atoms on the relaxed defect-free TiO2(110) surface
β Scribed by Gomes, J.; Prates Ramalho, J.
- Book ID
- 111938743
- Publisher
- The American Physical Society
- Year
- 2005
- Tongue
- English
- Weight
- 433 KB
- Volume
- 71
- Category
- Article
- ISSN
- 1098-0121
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π SIMILAR VOLUMES
The activation of the 110 TiO rutile surface by deposition of alkali 2 metal atoms has been the subject of some recent experimental studies. These results indicate a reduction of the surface when sodium atoms are deposited on it. In the present work, this process has been studied by means of ab init
## Abstract We carried out a theoretical study of the rutile TiO~2~(110) surface using ab initio techniques. We investigate the effects of both surface and subsurface defects. These defects consist of a missing oxygen atom in the crystalline structure, the oxygen vacancy. We show that the defect fo