Molecular dynamic simulations of forming graphene nanoribbons from single-wall carbon nanotubes

Rongjun Zhang, Hanqing Jiang

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Graphene nanoribbons (GNRs) are strips of graphene, a newly discovered material with carbon atoms parked in a two-dimensional honeycomb lattice, has attracted great deal of attention, because of its spectacular properties and various applications. This paper develops a new approach to form GNRs, namely cleaving single-wall carbon nanotubes (SWCNTs) by the bombardment of nanoparticles, by means of molecular dynamics simulations. Nanoparticles are accelerated by an electric field to bombard SWCNTs on substrates. Depending on the offset and relative diameters between nanoparticles and SWCNT, the SWCNTs can be cleaved and unraveled to GNRs. Because of the nanometer-scale of circumference of SWCNTs, the formed GNRs possess nanometer width. The conditions of the molecular dynamics simulations are able to be realized by current experimental capability.

Original languageEnglish (US)
Pages (from-to)717-721
Number of pages5
JournalJournal of Computational and Theoretical Nanoscience
Issue number4
StatePublished - Apr 2011


  • Graphene Nanoribbons
  • Molecular Dynamic Simulation
  • Single-Wall Carbon Nanotubes

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering


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