First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes

First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes

Year:    2013

Author:    Jian-Ming Xie

Journal of Atomic and Molecular Sciences, Vol. 4 (2013), Iss. 4 : pp. 375–382

Abstract

The structural, stability and elastic property of single-walled ZnS nanotubes (SW-ZnS NTs) with armchair and zigzag forms were investigated using first-principles approaches. We have investigated a size dependence of stability and elastic modulus in SW-ZnS NTs. It is found that both the stability and the Young’s modulus are decrease dramatically with increasing diameter and proportional to the Zn-S bond length.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/jams.111412.011413a

Journal of Atomic and Molecular Sciences, Vol. 4 (2013), Iss. 4 : pp. 375–382

Published online:    2013-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    8

Keywords:    density functional theory nanotube stability elastic modulus.

Author Details

Jian-Ming Xie

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