Communication: Stable carbon nanoarches in the initial stages of epitaxial growth of graphene on Cu(111)

Van Wesep, Robert G.; Chen, Hua; Zhu, Wenguang; Zhang, Z.

doi:10.1063/1.3587239

Title: Communication: Stable carbon nanoarches in the initial stages of epitaxial growth of graphene on Cu(111)

Journal Article · Sun May 01 00:00:00 EDT 2011 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3587239· OSTI ID:1051474

Van Wesep, Robert G. ^[1]; Chen, Hua ^[2]; Zhu, Wenguang ^[1]; Zhang, Z. ^[2]

ORNL
University of Tennessee, Knoxville (UTK)

To fully exploit the device potential of graphene, reliable production of large-area, high-qualitysamples is required. Epitaxial growth on metal substrates have shown promise in this regard, butfurther improvement would be facilitated by a more complete understanding of the atomistic processes involved in the early growth stages. Using first-principles calculations within density functionaltheory, we have investigated the energetics and kinetics of graphene nucleation and growthon a Cu(111) surface. Our calculations have revealed an energetic preference for the formationof stable one-dimensional carbon nanoarches consisting of 3–13 atoms when compared to twodimensionalcompact islands of equal sizes. We also estimate the critical cluster size that marksthe transition from nanoarch dominance to island dominance in the growth sequence. Our findingsmay provide the structural link between nucleated carbon dimers and larger carbon nanodomes,and are expected to stimulate future experimental efforts.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-00OR22725

OSTI ID:: 1051474

Journal Information:: Journal of Chemical Physics, Vol. 134, Issue 17; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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