First-principles study on work function of carbon nanotubes

Gang Zhou; Yoshiyuki Kawazoe

doi:10.1016/S0921-4526(02)00878-5

First-principles study on work function of carbon nanotubes

Gang Zhou, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Conference article › peer-review

4 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	196-198
Number of pages	3
Journal	Physica B: Condensed Matter
Volume	323
Issue number	1-4
DOIs	https://doi.org/10.1016/S0921-4526(02)00878-5
Publication status	Published - 2002 Oct 1
Event	Proceedings of the Tsukuba Symposium on Carbon Nanotube in Com (CNT10) - Tsukuba, Japan Duration: 2001 Oct 3 → 2001 Oct 5

Keywords

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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10.1016/S0921-4526(02)00878-5

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abstract = "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.",

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AU - Zhou, Gang

AU - Kawazoe, Yoshiyuki

PY - 2002/10/1

Y1 - 2002/10/1

N2 - 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.

AB - 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.

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KW - First-principles cluster method

KW - Work function

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EP - 198

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JF - Physica B: Condensed Matter

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