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The Influence of the Bulk Reduction State on the Surface Structure and Morphology of Rutile TiO 2 (110) Single Crystals

✍ Scribed by Li, Min; Hebenstreit, Wilhelm; Diebold, Ulrike; Tyryshkin, Alexei M.; Bowman, Michael K.; Dunham, Glen G.; Henderson, Michael A.


Book ID
118248545
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
321 KB
Volume
104
Category
Article
ISSN
0022-3654

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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