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By B Xu; H Y Li

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Extra resources for Advanced composite materials and manufacturing engineering : selected, peer reviewed papers from the 2012 International Conference on Advanced Composite Materials and Manufacturing Engineering (CMME2012) October 13-14, 2012, Beijing, China

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It is seen that young’s modulus is sensitive to the structure of functional groups. The -CH3 group is shown to most adversely affect young’s modulus, followed by the -OH, -COOH, -NH2, -F, -H groups. Moreover, we find that the young’s modulus of SWNT modified by -F functional group is the same as that of SWNT modified by -H functional group. As discussed above, the functional groups on SWNT surfaces result in the conversion of carbon bonding from in-plane sp2- hybridization to off-plane sp3- hybridization and the decrease of young’s modulus is due to the local lattice distortion of the SWNT.

G. W. F. B. N. L. Tang, R. W. Du: Journal of Crystal Growth. Vol. 283 (2005), p. Zhang, Q. B. Wang, N. Liu, and J. Yang: Journal of Physical Chemistry C. Vol. 113 (2009), p. 4053-4058. cn Keywords: carbon nanotube; functionalization; fluorine; young modulus Abstract. The effects of functional groups and degree of functionalization on the young modulus of carbon nanotubes (CNTs) are investigated through molecular dynamics and molecular mechanics simulations. It is found that young’s modulus depends greatly on the functional groups and degree of functionalization.

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