NUMERICAL MODELING OF ADSORPTION OF METALLIC PARTICLES ON GRAPHITE SUBSTRATE VIA MOLECULAR-DYNAMICS SIMULATION

A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has be en performed via the application of molecular dynamics simulation meth od. The simulation relates to an extensive STM-based experiment perfor med in this field, and reproduces part of the experimental results. Bo th two-body and many-body inter-atomic potentials have been employed. A Morse-type potential describing the metal-carbon interactions at the interface was specifically formulated for this modelling. Intercalati on of silver in graphite has been observed as well as the correct alig nments of monomers, dimers and two-dimensional islands on the surface.