First-principles study on work function of carbon nanotubes

Gang Zhou, Yoshiyuki Kawazoe

Research output: Contribution to journalConference articlepeer-review

6 Citations (Scopus)


The work functions of semiconducting and metallic single-walled carbon nanotubes were calculated by use of the first-principle cluster method. A series of metallic and semiconducting carbon nanotube clusters, containing 15-layer (metallic) or 16-layer (semiconducting) atoms in each cluster, with the practical diameter (1.0-2.0 nm), were adopted. It was found that the calculated workfunctions of carbon nanotubes were close to the experimental value, and were less sensitive to the tube diameter and conductivity.

Original languageEnglish
Pages (from-to)196-198
Number of pages3
JournalPhysica B: Condensed Matter
Issue number1-4
Publication statusPublished - 2002 Oct
EventProceedings of the Tsukuba Symposium on Carbon Nanotube in Com (CNT10) - Tsukuba, Japan
Duration: 2001 Oct 32001 Oct 5


  • Carbon nanotubes
  • First-principles cluster method
  • Work function

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering


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