writer：Qingbin Zheng, Qingzhong Xue (*), Keyou Yan, Xili Gao, Qun Li, Lanzhong Hao
keywords：carbon nanotube-polymer composites
source：期刊
specific source：Polymer 49 (2008) 800e808
Issue time：2007年

The influence of chemical functionalization on the interfacial bonding characteristics of single-walled nanotubes (SWNTs) reinforced polymer
composites was investigated using molecular mechanics and molecular dynamics simulations. The simulations show that functionalization
of nanotubes at low densities of functionalized carbon atoms drastically increases their interfacial bonding and shear stress between the nanotubes
and the polymer matrix, where chemisorption to as little as 5.0% of the nanotube carbon atoms increases the shear stress by about 1000%.
This indicates that increasing the load transfer between SWNTs and a polymer matrix in a composite via chemisorption may be an effective way
and chemical attachment of nanotubes during processing may be in part responsible for the enhanced stress transfer observed in some systems of
the nanotubeepolymer composites. Furthermore, this suggests the possibility to use functionalized nanotubes to effectively reinforce other kinds
of polymer-based materials as well.