HIGH-INDEX NICKEL SURFACE FOR GRAPHENE SYNTHESIS

Although the CVD method is considered one of the most efficient techniques for the synthesis of graphene with electronic and mechanical properties and high chemical stability, one of the main problems in the synthesis of graphene by this method is the choice of an effective substrate. In this work, using the molecular dynamics (MD) method, the probability of graphene growth on high-index Ni(331) surfaces as compared to low-index Ni(111) surfaces was studied. We found that although Ni(111) surface is more stable than the Ni(331) surface, with respect to their surface energies, the surface energy of the graphene-covered Ni(331) surface is 0.5 J/m2 lower than its Ni(111) counterpart. This strongly indicates that graphene can be grown on high-index Ni(331) surfaces better than on conventional Ni(111) surfaces. These results improve our experimental and theoretical knowledge about growing high-quality graphene for carbon-based nanodevices.

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