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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
Descripción
Sumario: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.