A cross-scale characterization of interface properties between carbon nanotubes and polymer matrix

This paper discusses the methods of promoting covalent bonds between polymer and carbon nanotubes to make high performance composites. Such methods involve attachment of chemical moieties (i.e. functional groups) to the sidewalls of carbon nanotubes, introduction of mechanical deformation on nanotubes, or generation of radicals on the polymer chains using free radical generators. The implementation of the latter method is demonstrated at both quantum mechanics and molecular dynamics levels.