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

Gang Zhou; Wenhui Duan; Binglin Gu; Yoshiyuki Kawazoe

doi:10.1063/1.1429242

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

Gang Zhou, Wenhui Duan, Binglin Gu, Yoshiyuki Kawazoe

未来科学技術共同研究センター

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
巻	116
号	5
DOI	https://doi.org/10.1063/1.1429242
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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10.1063/1.1429242

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

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