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      Perpendicular growth of carbon chains on graphene from first-principles

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      Author
      Ataca, C.
      Çıracı, Salim
      Date
      2011
      Source Title
      Physical Review B
      Print ISSN
      2469-9950
      Electronic ISSN
      2469-9969
      Publisher
      American Physical Society
      Volume
      83
      Issue
      23
      Pages
      235417-1 - 235417-10
      Language
      English
      Type
      Article
      Item Usage Stats
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      Abstract
      Based on first-principles calculations we predict a peculiar growth process, where carbon adatoms adsorbed to graphene readily diffuse above room temperature and nucleate segments of linear carbon chains attached to graphene. These chains grow longer on graphene through insertion of carbon atoms one at a time from the bottom end and display a self-assembling behavior. Eventually, two allotropes of carbon, namely graphene and cumulene, are combined to exhibit important functionalities. The segments of carbon chains on graphene become chemically active sites to bind foreign atoms or large molecules. When bound to the ends of carbon chains, transition metal atoms, Ti, Co, and Au, attribute a magnetic ground state to graphene sheets and mediate stable contacts with interconnects. We showed that carbon chains can grow also on single-wall carbon nanotubes. © 2011 American Physical Society.
      Keywords
      73.22.−f
      63.22.−m
      81.05.ue
      Permalink
      http://hdl.handle.net/11693/21889
      Published Version (Please cite this version)
      http://dx.doi.org/10.1103/PhysRevB.83.235417
      Collections
      • Department of Physics 2332
      • Institute of Materials Science and Nanotechnology (UNAM) 1841
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