Molecular dynamics simulations were used to investigate the mobility and morphology of platinum nanoparticles supported on carbonaceous materials. The embedded-atom method was used to model Pt-Pt interactions. The Pt-C interactions were modeled using the Lennard-Jones potential. Carbon atoms were treated as rigid. The supports which were considered include a single graphite layer, as well as carbon nanotubes, regarded as bundles. The properties of interest included the mobility and morphology of the supported nanoparticles. The results showed that the diffusion coefficients of Pt nanoparticles on carbon nanotube bundles were an order of magnitude lower than those of Pt nanoparticles supported by graphite. Platinum nanoparticles deposited onto carbon nanotubes were structurally different from those deposited onto graphite. In particular, they were characterized by a lower average coordination number than those supported by graphite.

Morphology and Diffusion Mechanism of Platinum Nanoparticles on Carbon Nanotube Bundles. B.H.Morrow, A.Striolo: Journal of Physical Chemistry C, 2007, 111[48], 17905-13