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1998 | 93 | 2 | 343-354
Article title

Numerical Modelling of Adsorption of Metallic Particles on Graphite Substrate Via Molecular Dynamics Simulation

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EN
Abstracts
EN
A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has been performed via the application of molecular dynamics simulation method. The simulation relates to an extensive STM-based experiment performed in this field, and reproduces part of the experimental results. Both 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. Intercalation of silver in graphite has been observed as well as the correct alignments of monomers, dimers and two-dimensional islands on the surface.
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  • Nano-Science Simulation Group, Centre for Numerical Modelling and Process Analysis, School of Computing and Mathematical Sciences, University of Greenwich, Woolwich Campus, Wellington Street, London SE18 6PF, UK
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bwmeta1.element.bwnjournal-article-appv93z210kz
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