Simulation on initial growth stages of graphene on Pt (111) surface

Epitaxialgrowth process and morphology evolution in the initial growth stages of graphene on Pt (111) surface have been studied by means of canonical Monte Carlo simulation. It is found that the nucleation,carbon chains, carbon rings, and then graphene domain are formed orderly in the early growth stages during the annealing process. The dynamic processes of the morphology evolution are visualized through the simulation. The formed structures of graphene are investigated quantitatively by pair distribution function, atomic intervals, and the bend angles among the three contiguous carbon atoms. The lattice mismatch between graphene and the Pt (111) surface is accommodated by the main structure of hcp-fcc. These simulation results are consistent with experimental observations and may give further insights to the epitaxialgrowth of graphene in the atomic scale.Published versio