• 文献标题:   Molecular Dynamic Simulations of Forming Graphene Nanoribbons from Single-Wall Carbon Nanotubes
  • 文献类型:   Article
  • 作  者:   ZHANG RJ, JIANG HQ
  • 作者关键词:   graphene nanoribbon, singlewall carbon nanotube, molecular dynamic simulation
  • 出版物名称:   JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE
  • ISSN:   1546-1955 EI 1546-1963
  • 通讯作者地址:   Arizona State Univ
  • 被引频次:   1
  • DOI:   10.1166/jctn.2011.1743
  • 出版年:   2011

▎ 摘  要

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 tie molecular dynamics simulations are able to be realized by current experimental capability.