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Theoretical Study of the Adsorption of Formaldehyde on Magnesium Oxide Nanosurfaces: Size Effects and the Role of Low-Coordinated and Defect Sites

✍ Scribed by Kakkar, Rita; Kapoor, Pramesh N.; Klabunde, Kenneth J.


Book ID
124055101
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
262 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 investigatedβ€”including surface bridging oxygen vacancies, titan