Journal
GOLD BULLETIN
Volume 40, Issue 1, Pages 40-44Publisher
SPRINGER HEIDELBERG
DOI: 10.1007/BF03215291
Keywords
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Hybrid Density functional calculations have been carried out for Au-10, Au-10-H2O, Au-10-HO2, and Au10H2 O-O-2 model clusters. The results show that all the Au-10 clusters examined have a weak interaction with H2O and neutral and negatively charged Au-10 clusters have a weak interaction with O-2. Moreover, it is also found that the negative charge densities of O-2 were greatly increased in the case of the coadsorption of O-2 and H2O on the surface of the negatively charged Au-10. These findings suggest that the presence of H2O enhances the activation of O-2 on the surface of an Au cluster.
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