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Theoretical study of perfect and defective TiO2 crystals

✍ Scribed by A. Stashans; S. Lunell; R.W. Grimes

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
825 KB
Volume
57
Category
Article
ISSN
0022-3697

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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