Cooperative Adsorption of O2 and C2H4 on Small Gold Clusters

The adsorption Of O-2 and C2H4 molecules on small gold clusters consisting of up to 10 atoms has been investigated using theoretical methods based on density-functional theory. It is shown that, in addition to a conventional mechanism of the catalytic activation Of O-2 adsorbed oil a gold cluster, the interaction Of C2H4 with small gold clusters results in considerable weakening of the carbon-carbon double bond. Moreover, coadsorption Of O-2 and C2H4 on small gold clusters with an odd number of atoms leads to cooperative effect which further stabilizes the O-2-Au-N-C2H4 system. Hence, Simultaneous adsorption of the O-2 and C2H4 molecules on free gold clusters can considerably promote the oxidation process via the Langmuir-Hinshelwood mechanism.