Computer simulation of interactions of model Pt particles and films with the silica surface

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Abstract
The molecular dynamics method was used to simulate adsorption and particle growth behavior of model Pt metal on the vitreous silica surface. Analysis of depositions from single atoms through the development of a continuous film of metal were simulated, and were then compared to similar systems analyzed in the laboratory. Consistent with experimental findings, the single atom depositions showed both adsorption onto the surface of the substrate as well as penetration into the interior (subsurface) sections. Multiple Pt atom interactions resulted in more complex absorption behavior. This finding yielded better quantitative agreement with the ‘‘real’’ systems analyzed previously. Applications of this type of study are discussed.