Ab Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes

α
Dr. Sh. Valedbagi
Dr. Sh. Valedbagi
σ
A. Fatehalian
A. Fatehalian
ρ
S. M. Elahi
S. M. Elahi
α Islamic Azad University, Tehran Islamic Azad University, Tehran

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Ab Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes

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Abstract

The electronic properties of double-wall zinc oxide nanotubes (DWZnONTs) are investigated via density functional theory. The DWZnONTs are separated into two categories¸ where the inner and outer nanotubes are armchair-armchairand zigzag-zigzag single-wall nanotubes. The band structure of the DWZnONTs is calculated. Our results show that the interwall coupling diminishes the energy gap in semiconducting nanotube. We found that the energy gap of DWZnONTs depends on the structure of the inner and outer walls.

References

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Funding

No external funding was declared for this work.

Conflict of Interest

The authors declare no conflict of interest.

Ethical Approval

No ethics committee approval was required for this article type.

Data Availability

Not applicable for this article.

How to Cite This Article

Dr. Sh. Valedbagi. 2012. \u201cAb Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes\u201d. Global Journal of Science Frontier Research - A: Physics & Space Science GJSFR-A Volume 12 (GJSFR Volume 12 Issue A6): .

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Issue Cover
GJSFR Volume 12 Issue A6
Pg. 45- 50
Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

Version of record

v1.2

Issue date

September 22, 2012

Language
en
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The electronic properties of double-wall zinc oxide nanotubes (DWZnONTs) are investigated via density functional theory. The DWZnONTs are separated into two categories¸ where the inner and outer nanotubes are armchair-armchairand zigzag-zigzag single-wall nanotubes. The band structure of the DWZnONTs is calculated. Our results show that the interwall coupling diminishes the energy gap in semiconducting nanotube. We found that the energy gap of DWZnONTs depends on the structure of the inner and outer walls.

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Ab Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes

Dr. Sh. Valedbagi
Dr. Sh. Valedbagi Islamic Azad University, Tehran
A. Fatehalian
A. Fatehalian
S. M. Elahi
S. M. Elahi

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