Journal
NANOTECHNOLOGY
Volume 18, Issue 28, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0957-4484/18/28/285704
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The thermal conductivity at 300 K of (10, 0) single-wall carbon nanotubes (SWNTs) that have been functionalized by chemical attachment of hydrogen atoms is studied by a nonequilibrium molecular dynamics (MD) method with Brenner II potential. The system exhibits a drop in thermal conductivity with functionalization. When 5% of nanotube carbon atoms are hydrogenated, the thermal conductivity is reduced by about a factor of 1.5. To clarify this effect the phonon spectra of the nanotubes are investigated.
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