The dispersion of Au nanoparticles on carbon nanotubes was investigated by transmission electron microscopy and the bonding mechanism between Au clusters and carbon nanotubes was deduced by means of density functional theory calculations. Both experimental and theoretical studies showed that point defects were the anchoring sites of Au nanoparticles. The mechanisms of enhanced bonding between Au and carbon nanotubes via point defects were explained by analyses of density of states, charge transfer and frontier molecular orbitals.

The Point-Defect of Carbon Nanotubes Anchoring Au Nanoparticles. Y.A.Lv, Y.H.Cui, X.N.Li, X.Z.Song, J.G.Wang, M.Dong: Physica E, 2010, 42[5], 1746-50