MOLECULAR-DYNAMICS SIMULATION OF ADSORPTION OF AG PARTICLES ON A GRAPHITE SUBSTRATE

We have performed for the first time a molecular dynamics simulation o f the adsorption of gas-phase Ag particles on a graphite substrate to provide an insight into the results of a comprehensive STM-based exper iment on this system. Both pair-wise and many-body interatomic potenti als have been employed, and a Morse-type Ag-C potential was specifical ly constructed to describe the interactions at the interface. Our simu lation has successfully reproduced a significant portion of the experi mental findings. We have also observed the intercalation of silver in graphite. (C) 1997 Elsevier Science B.V.