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Alcohol Chemistry on Rutile TiO2(110): The Influence of Alkyl Substituents on Reactivity and Selectivity

✍ Scribed by Kim, Y.K.; Kay, B.D.; White, J.M.; Dohnalek, Z.

Book ID
125896545
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
314 KB
Volume
111
Category
Article
ISSN
1932-7447

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## 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