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First-Principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO 2 (110) Surface †

✍ Scribed by Morikawa, Yoshitada; Takahashi, Ittetsu; Aizawa, Masaki; Namai, Yoshimichi; Sasaki, Takehiko; Iwasawa, Yashuhiro


Book ID
120026151
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
151 KB
Volume
108
Category
Article
ISSN
0022-3654

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## Abstract We report a systematic investigation of the effects of different surface and subsurface point defects on the adsorption of formaldehyde on rutile TiO~2~(110) surfaces using density functional theory (DFT). All point defects investigated—including surface bridging oxygen vacancies, titan