The Role of Surface and Subsurface Point
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Dr. Jan Haubrich; Prof. Efthimios Kaxiras; Prof. Cynthia M. Friend
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Article
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2011
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John Wiley and Sons
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English
⚖ 562 KB
## 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