Vacancy cluster-limited electronic transport in metallic carbon nanotube

Hui Zeng, Jean Pierre Leburton, Huifang Hu, Jianwei Wei

Research output: Contribution to journalArticlepeer-review


We investigate the electronic properties of metallic (7,7) carbon nanotubes (CNT) in the presence of a variety of tetra- and hexa-vacancy defects, by using the first principles density functional theory (DFT) combined with the non-equilibrium Green's function technique. From the view point of energetic stability large vacancies tend to split into pentagon and heptagon (57) defects. However, this does not preclude the presence of "holes" in the carbon nanotube by the nanoelectronic lithography technique. We show that the states linked to large vacancies hybridize with the extended states of the nanotubes to modify their band structure. As a consequence, the hole-like defects in the CNT lead to more prominent electronic transport compared to the situation in the defective CNT consisting of pentagonheptagon pair defects. Our study suggests the possibility to improve the electronic properties of a defective carbon nanotube via morphological modifications induced by irradiation techniques.

Original languageEnglish (US)
Pages (from-to)9-12
Number of pages4
JournalSolid State Communications
Issue number1
StatePublished - Jan 2011


  • A. Carbon nanotube
  • A. Vacancy cluster
  • D. Electronic transport
  • E. First principle

ASJC Scopus subject areas

  • Condensed Matter Physics
  • General Chemistry
  • Materials Chemistry


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