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

► Analysis and derivation of a many-body force-field for the C-Ni(1 1 1) interaction from first-principles simulations. ► Carbon chains are kinetically favored over branched configurations. ► Carbon chains undergo very rapid diffusion on Ni(1 1 1). ► The diffusion of carbon chains does not necessarily lead to cross-linking.