Qualitative and quantitative descriptions on the localized electronic structure in single-walled carbon nanotubes

Gang Zhou, Wenhui Duan, Binglin Gu, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

Within the framework of LCAO-MO, the localized molecular orbital was defined and the corresponding localized work functions for closed, capped and open-ended SWNTs were calculated. It was found that the localized molecular orbital and localized work function are sensitive to the morphology of carbon nanotubes as like local density of states.

Original languageEnglish
Pages (from-to)2284-2288
Number of pages5
JournalJournal of Chemical Physics
Volume116
Issue number5
DOIs
Publication statusPublished - 2002 Feb 1

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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