Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

Chem Commun (Camb). 2012 Aug 18;48(64):7937-9. doi: 10.1039/c2cc32995f. Epub 2012 Jul 5.

Abstract

Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.