Adsorption and diffusion of silicon on the exterior surfaces of carbon nanotubes were considered. First-principles calculations were used to explore the processes. It was found that a silicon atom preferred to be adsorbed at the bridge site above a C-C bond tilted to the tube axis with binding energy of 1.29 to 1.61eV. The adsorbed silicon atoms had a high mobility, with diffusion energy barriers of less than 0.06eV. The energetically favorable diffusion paths were oriented along the tube axis.

Atomic-Scale Characterization of Silicon Diffusion on Carbon Nanotubes. H.Zhang, X.Zhang, M.Zhao, Z.Wang: Physica E, 2010, 43[2], 610-3