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Water-Enhanced Catalysis of CO Oxidation on Free and Supported Gold Nanoclusters
2005
Physical Review Letters
The enhancement by water molecules of the catalytic activity of gas-phase and supported gold nanoclusters toward CO oxidation is investigated with first-principles calculations. Coadsorption of H 2 O and O 2 leads to formation of a complex well bound to the gold cluster, even on a defect-free MgO(100) support. Formation of the complex involves partial proton sharing between the adsorbates, that in certain configurations results in proton transfer leading to the appearance of a hydroperoxyl-like
doi:10.1103/physrevlett.95.106102
pmid:16196944
fatcat:oql7au4thfb4zpb4h4uccdm3ai