Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 131, Issue 23, Pages 7958-+Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja902259k
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Funding
- NBRP [2006CB922000]
- NSFC [50721091, 60771006, 10825415, 50532040]
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We report our experimental study of the adsorption and diffusion of CO on clean TiO2(110)-1 x 1 at an atom-resolved scale with in situ scanning tunneling microscopy at 80 K, combined with density functional theory calculations. Our results reveal that the CO adsorption sites on the TiO2(110)-1 x 1 surface are preferentially located at nextnearest-neighbor five-coordinate Ti atoms close to a bridge-bonded oxygen vacancy (BBOv), in contrast to the idea that the BBOv itself acts as the adsorption site for CO. The equilibrium distribution of CO adsorption on the TiO2(110)-1 x 1 surface can be well-understood according to the calculated adsorption energies of different sites.
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