Molecular dynamics simulation of graphene growth on Ni(100) facet by chemical vapor deposition

摘要

We present a molecular dynamics simulation of chemical vapor deposition of graphene. Single layer graphene growth on a Ni (100) facet was studied at different substrate temperatures, C flow rates, and C flow energies. Results show that a single layer graphene film grows through a combined deposition mechanism on a Ni substrate, rather than by surface segregation. These simulations suggest that high quality graphene deposition is theoretically possible on Ni (100) facet under high flux energy.