Hydrogen self-diffusivity on the internal surface of (8,0) platinum/palladium decorated single-walled carbon nanotubes was studied at various pressures and different temperatures from 77 to 298K using molecular dynamics simulations. The results were compared with the 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 nanotube indicated the strong temperature dependence of diffusion.

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