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

Erik C. Neyts, Adri C.T. Van Duin, Annemie Bogaerts

Research output: Contribution to journalArticle

25 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)7250-7255
Number of pages6
JournalNanoscale
Volume5
Issue number16
DOIs
StatePublished - Aug 21 2013

All Science Journal Classification (ASJC) codes

  • Materials Science(all)

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