Optimizing the thermoelectric performance of zigzag and chiral carbon nanotubes
XJ Tan and HJ Liu and YW Wen and HY Lv and L Pan and J Shi and XF Tang, NANOSCALE RESEARCH LETTERS, 7, 1-7 (2012).
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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