Formation of single layer graphene on nickel under far-from-equilibrium high flux conditions

Nanoscale. 2013 Aug 21;5(16):7250-5. doi: 10.1039/c3nr00153a. Epub 2013 May 22.

Abstract

We investigate the theoretical possibility of single layer graphene formation on a nickel surface at different substrate temperatures under far-from-equilibrium high precursor flux conditions, employing state-of-the-art hybrid reactive molecular dynamics/uniform acceptance force bias Monte Carlo simulations. It is predicted that under these conditions, the formation of a single layer graphene-like film may proceed through a combined deposition-segregation mechanism on a nickel substrate, rather than by pure surface segregation as is typically observed for metals with high carbon solubility. At 900 K and above, nearly continuous graphene layers are obtained. These simulations suggest that single layer graphene deposition is theoretically possible on Ni under high flux conditions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Graphite / chemistry*
  • Molecular Dynamics Simulation
  • Monte Carlo Method
  • Nanotubes, Carbon
  • Nickel / chemistry*
  • Surface Properties
  • Temperature

Substances

  • Nanotubes, Carbon
  • Graphite
  • Nickel