Effect of interfacial chemical bonding on the mechanical properties of carbon nanotube/epoxy nanocomposites

Abstract

In this study, we developed an atomistic interface model for a composite of processed diglycidyl ether of bisphenol A (DGEBA) molecule and carbon nanotubes (CNTs) with point defects. We investigated the interfacial, mechanical, and electronic properties of the model. We found that strong covalent bonds are formed at the interface between CNT and DGEBA without decreasing the stiffness of the CNT. The Young's modulus of CNT with a point defect (without DGEBA) is 845.49 GPa, which is 5.46% lower than that of defect-free CNT (894.32 GPa). On the other hand, the Young's modulus of the CNT/DGEBA composites is 895.20 GPa, which is close to that of defect-free CNTs, indicating that Young's modulus is reduced by defects but recovered by the termination of the defects. These results suggest that the interfacial and mechanical properties of nanocomposites can be effectively improved by controlling the microscopic structures, such as defects.