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Volume 4, Issue 4
First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes

Jian-Ming Xie

DOI: 10.4208/jams.111412.011413a

J. At. Mol. Sci., 4 (2013), pp. 375-382.

Published online: 2013-04

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  • 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.

  • Keywords

density functional theory, nanotube, stability, elastic modulus.

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address

dtxiejianming@sina.com (Jian-Ming Xie)

  • BibTex
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  • TXT
@Article{JAMS-4-375, author = {Xie , Jian-Ming}, title = {First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes}, journal = {Journal of Atomic and Molecular Sciences}, year = {2013}, volume = {4}, number = {4}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.111412.011413a}, url = {http://global-sci.org/intro/article_detail/jams/8268.html} }
TY - JOUR T1 - First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes AU - Xie , Jian-Ming JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 375 EP - 382 PY - 2013 DA - 2013/04 SN - 4 DO - http://doi.org/10.4208/jams.111412.011413a UR - https://global-sci.org/intro/article_detail/jams/8268.html KW - density functional theory, nanotube, stability, elastic modulus. AB -

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.

Xie , Jian-Ming. (2013). First-Principles Study on Structural, Electronic and Elastic Property of ZnS Nanotubes. Journal of Atomic and Molecular Sciences. 4 (4). 375-382. doi:10.4208/jams.111412.011413a
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