Growth of carbon clusters on a Ni(1 1 1) surface

A Morse potential is designed to depict the interaction of carbon clusters with the perfect Ni(1 1 1) surface. This potential is fitted to a dataset obtained via DFT calculations and accounts for the carbon–carbon coordination dependence of the C–Ni interaction. The dynamics of carbon clusters on a rigid Ni(1 1 1) lattice is then studied in the presence of a homogeneous carbon source, simulating recent experiments on low-temperature clustering of carbon species by diffusion on an infinite and perfect Ni(1 1 1) surface. Carbon chains are predicted to grow with only limited cross-linking. It is suggested that an additional mechanism might be needed to convert carbon chains into a graphene sheet.