Atomic Structure of Monolayer Graphite Formed on Ni(111).

Graphene on Crystalline Metal Surfaces

“…Here, the negative sign denotes the compressive strain. The almost perfect lattice match gives rise to a strong interfacial interaction, as has been demonstrated previously [53]. In turn, the epitaxial graphene on Ru(0001) represents a special case of a large nominal lattice mismatch of −8.9% misfit strain when 12 graphene lattice distances match with 11 Ru(0001) lattices distances.…”

“…Second, a single-crystalline facet of any of these materials has a 2D long-range periodic surface lattice that is more or less compatible with the lattice of single-layer graphite; thus, it can provide an excellent template for the nucleation and propagation of a graphene adlayer. Recently, epitaxy of high-quality monolayer graphene has been reported on different TM surfaces, such as Ru(0001) [45,41,46], Pt(111) [47,48], Ir(111) [43,49,50], Cu(111) [51], and Ni(111) [52][53][54].…”

Sequential synthesis of free-standing high quality bilayer graphene from recycled nickel foil

“…Graphene is indeed known to strongly interact with Ni due to hybridization between p orbitals of graphene and d z2 states Ni [27,28]. The spacing between graphene and Ni surface is thus reduced and was calculated as low as 2.11 Å [29]. It was reported that the p-band structure of graphene could not be found in the first two layers [30].…”

Numerical simulation of nanoscale systems and materials

“…The NidC interaction, as described by default MEAM parameterization, was unfortunately unsuitable for the simulation. Several translational intersurface configurations between graphene and Ni-111 are possible from both theoretical and experimental observations (Vanin et al, 2010;Xu and Buehler, 2010;Rosei and Crescenzi, 1983;Gamo et al, 1997;Deng et al, 2012;Fuentes-Cabrera et al, 2008) and none of the intersurface configurations appear to be properly represented in terms of adhesion energy and local stability (Smolyanitsky and Tewary, 2011a). As a result, we devised and implemented a custom potential term for the Ni-C interaction based on the Morse potential.…”