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

Gang Zhou, Wenhui Duan, Binglin Gu, Yoshiyuki Kawazoe

研究成果: Article査読

6 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)2284-2288
ページ数5
ジャーナルJournal of Chemical Physics
116
5
DOI
出版ステータスPublished - 2002 2月 1

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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