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

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	2284-2288
Number of pages	5
Journal	Journal of Chemical Physics
Volume	116
Issue number	5
DOIs	https://doi.org/10.1063/1.1429242
Publication status	Published - 2002 Feb 1

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10.1063/1.1429242

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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.",

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AU - Duan, Wenhui

AU - Gu, Binglin

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

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