Hydrogen self-diffusivity on the internal surfaces of (8,0) platinum/palladium decorated single-walled carbon nanotubes was studied at various pressures, and at temperatures ranging from 77 to 298K, using molecular dynamics simulations. The results were compared with those for a bare nanotube under the same conditions. The self-diffusivity in the bare nanotube was found to be faster than that in the decorated ones. The high calculated activation energy, for hydrogen in platinum-decorated nanotubes, reflected the strong temperature dependence of the diffusion.

Study of Hydrogen Self Diffusion in Platinum/Palladium Decorated Single-Walled Carbon Nanotubes using Molecular Dynamics Simulations. S.Jalili, A.Jaberi, M.G.Mahjani, M.Jafarian: Journal of Computational and Theoretical Nanoscience, 2009, 6[5], 1143-7