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Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes

Using nonequilibrium molecular dynamics simulations and nonequilibrium Green's function method, we investigate the thermoelectric properties of a series of zigzag and chiral carbon nanotubes which exhibit interesting diameter and chirality dependence. Our calculated results indicate that these...

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Detalles Bibliográficos
Autores principales: Tan, Xiaojian, Liu, Huijun, Wen, Yanwei, Lv, Hongyan, Pan, Lu, Shi, Jing, Tang, Xinfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3355008/
https://www.ncbi.nlm.nih.gov/pubmed/22325623
http://dx.doi.org/10.1186/1556-276X-7-116
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author Tan, Xiaojian
Liu, Huijun
Wen, Yanwei
Lv, Hongyan
Pan, Lu
Shi, Jing
Tang, Xinfeng
author_facet Tan, Xiaojian
Liu, Huijun
Wen, Yanwei
Lv, Hongyan
Pan, Lu
Shi, Jing
Tang, Xinfeng
author_sort Tan, Xiaojian
collection PubMed
description Using nonequilibrium molecular dynamics simulations and nonequilibrium Green's function method, we investigate the thermoelectric properties of a series of zigzag and chiral carbon nanotubes which exhibit interesting diameter and chirality dependence. Our calculated results indicate that these carbon nanotubes could have higher ZT values at appropriate carrier concentration and operating temperature. Moreover, their thermoelectric performance can be significantly enhanced via isotope substitution, isoelectronic impurities, and hydrogen adsorption. It is thus reasonable to expect that carbon nanotubes may be promising candidates for high-performance thermoelectric materials.
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spelling pubmed-33550082012-05-18 Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes Tan, Xiaojian Liu, Huijun Wen, Yanwei Lv, Hongyan Pan, Lu Shi, Jing Tang, Xinfeng Nanoscale Res Lett Nano Express Using nonequilibrium molecular dynamics simulations and nonequilibrium Green's function method, we investigate the thermoelectric properties of a series of zigzag and chiral carbon nanotubes which exhibit interesting diameter and chirality dependence. Our calculated results indicate that these carbon nanotubes could have higher ZT values at appropriate carrier concentration and operating temperature. Moreover, their thermoelectric performance can be significantly enhanced via isotope substitution, isoelectronic impurities, and hydrogen adsorption. It is thus reasonable to expect that carbon nanotubes may be promising candidates for high-performance thermoelectric materials. Springer 2012-02-11 /pmc/articles/PMC3355008/ /pubmed/22325623 http://dx.doi.org/10.1186/1556-276X-7-116 Text en Copyright ©2012 Tan et al; licensee Springer. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Nano Express
Tan, Xiaojian
Liu, Huijun
Wen, Yanwei
Lv, Hongyan
Pan, Lu
Shi, Jing
Tang, Xinfeng
Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title_full Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title_fullStr Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title_full_unstemmed Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title_short Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
title_sort optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3355008/
https://www.ncbi.nlm.nih.gov/pubmed/22325623
http://dx.doi.org/10.1186/1556-276X-7-116
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