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The graphene islands, formed as different sizes, are crucial for the finalquality of the formed graphene during the CVD growth either as the nucleationseeds or as the build blocks for larger graphene domains. Extensive efforts hadbeen devoted to the size or the morphology control while fewer works werereported on the moving dynamics of these graphene islands as well as theassociate influences to their coalescence during the CVD Growth of graphene. Inthis study, based on the self-developed C-Cu empirical potential, we performedsystematic molecular dynamics simulations on the surface moving of threetypical graphene islands CN (N = 24, 54 and 96) on the Cu (111) surface anddiscovered their different behaviors in sinking, lateral translation androtation at the atomic scale owning to their different sizes, which were provedto bring forth significant impacts to their coalescences and the final qualityof the as-formed larger domains of graphene. This study would deepen ouratomistic insights into the mechanisms of the graphene CVD growth and providesignificant theoretical guidelines to its controlled synthesis.

Size dependence of the Graphene Islands Moving on Cu (111) Surface during the CVD Growth