Carbon nanotubes with an extended line defect

Academic Article

Abstract

  • An extended line defect in graphene lattice, such as a stacking fault, was shown to lead to the construction of nanotubes with fractional indices of chirality, which exhibit interesting electronic structure. Line defects in a 2D lattice were considered, described as a relative displacement of the two halves of the lattice separated by the line and accompanied by selective removal of some atoms located on the line. The results show that the relaxation of the graphene sheet with a growth fault and the unit cell doubling along the fault line leads to a significant lowering of the energy of the fault. It is also found that the radial breathing mode (RBM) of CNTs are more strongly dependent on the diameter than those of the G-band-like modes. The line defects in CNT in the form of edge-sharing pentagons pairs and adjacent octagons is found to break the symmetry of an ideal nanotube.
  • Published In

  • Small  Journal
  • Digital Object Identifier (doi)

    Author List

  • Kahaly MU; Singh SP; Waghmare UV
  • Start Page

  • 2209
  • End Page

  • 2213
  • Volume

  • 4
  • Issue

  • 12