• 文献标题:   Topological and Energetic Conditions for Lithographic Production of Carbon Nanotubes from Graphene
  • 文献类型:   Article
  • 作  者:   FULEP D, ZSOLDOS I, LASZLO I
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF NANOMATERIALS
  • ISSN:   1687-4110 EI 1687-4129
  • 通讯作者地址:   Szechenyi Istvan Univ
  • 被引频次:   2
  • DOI:   10.1155/2015/379563
  • 出版年:   2015

▎ 摘  要

Density Functional Based Tight-Binding (DFTB) molecular dynamics (MD) simulations were performed for producing carbon nanotubes from graphene nanoribbons. The constant temperature simulations were controlled with the help of Nose-Hoover thermostat. In our systematic study we obtained critical curvature energies and determined topological conditions for nanotube production from two parallel graphene nanoribbons. We obtained linear relationship between the curvature energy and the square of the curvature.