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Article: Studies from M.F. Camellone and co-authors have provided new information about chemical research.
- Article from:
- Chemicals & Chemistry
- Article date:
- September 11, 2009
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According to recent research from Basovizza, Italy, "Density functional theory calculations that account for the on-site Coulomb interaction via a Hubbard term (DFT+U) reveal the mechanisms for the oxidation of CO catalyzed by isolated Au atoms as well as small clusters in Au/CeO2 catalysts. Ceria (111) surfaces containing positively charged Au ions, either as supported Au+ adatoms or as substitutional Au3+ ions, are shown to activate molecular CO and to catalyze its oxidation to CO2."
"In the case of supported single Au+ adatoms, the limiting rate for the CO oxidation is determined by the adsorbate spillover from the adatom to the oxide support. The reaction ...