Molecular Dynamic Study on Thermal Conductivity of Methyl-Chemisorption Carbon Nanotubes
2015 ◽
Vol 1096
◽
pp. 520-523
Keyword(s):
The thermal conductivity at 300K of (6, 6) carbon nanotubes and chemi-adsorbed carbon nanotubes with methyl groups at random positions through covalent bonding (chemisorption) has been calculated as a function of adsorption density using molecular dynamics. The results exhibit a rapid drop in thermal conductivity with chemisorptions, even chemisorption as little as 1.0% of the nanotube carbon atoms reduces the thermal conductivity significantly. Investigate its reason, defects caused by chemisorption blocking the transmission of phonons which plays a leading role in the heat conduction of nanotubes, affecting the temperature distribution and energy transmission, leading to the thermal conductivity decline.
2008 ◽
Vol 47
(4)
◽
pp. 2005-2009
◽
Thermal conductivity for single-walled carbon nanotubes from Einstein relation in molecular dynamics
2013 ◽
Vol 74
(11)
◽
pp. 1599-1603
◽
Keyword(s):
2010 ◽
Vol 374
(48)
◽
pp. 4885-4889
◽