Packing effects, carbon clusters

Several studies have focused on extensive MD simulations of Pt nanoparticles adsorbed on carbon in the presence or absence of ionomers [109-113]. Lamas and Balbuena performed classical molecular dynamics simulations on a simple model for the interface between graphite-supported Pt nanoparticles and hydrated Nation [113]. In MD studies of CLs, the equilibrium shape and structure of Pt clusters are usually simulated using the embedded atom method (EAM). Semi-empirical potentials such as the many-body Sutton-Chen potential (SC) [114] are popular choices for the close-packed metal clusters. Such potential models include the effect of the local electron density to account for many-body terms. The SC potential for Pt-Pt and Pt-C interactions provides a reasonable description of the properties of small Pt clusters. The potential energy in the SC potential is expressed by... 

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