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

Dr. Sh. Valedbagi

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

Dr. Sh. Valedbagi * §

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Islamic Azad University, Tehran, Iran

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

10 Cites in Article

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

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GJSFR Volume 12 Issue A6

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Journal Specifications

Crossref Journal DOI 10.17406/GJSFR

Print ISSN 0975-5896

e-ISSN 2249-4626

Keywords

Density function theory Density of states Znic oxide nanotube

Classification

GJSFR-A Classification PACs: 73.22.Fg; 61.46.Mp; 81.16.Pr; 71.15.Mb

Submission ReceivedJune 1, 2012
Peer Review Double Blind
Handling Editor
Accepted June 21, 2012
Published July 3, 2012

Version of record

v1.2

Issue date

September 22, 2012

Language

English

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Article Matrices

Total Score: 132

Country: Iran

Subject: Global Journal of Science Frontier Research

Authors: Dr. Sh. Valedbagi, A. Fatehalian, S. M. Elahi (PhD/Dr. count: 1)

View Count (all-time): 255

Total Views (Real + Logic): 1660

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Publish Date: 2012 07, Tue

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Total Views: 1.7K

Total Downloads: 77

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