Experimental and first-principles study of the interactions between graphene oxide and carbon nanotube

Abstract

The interaction between carbon nanotubes (CNTs) and graphene oxide (GO) was studied by experimental characterization and first-principle calculation by considering the effect of the functional groups, the chirality of CNT and the contact area between CNT and GO. The results demonstrated that the dispersibility of CNTs can be effectively improved by GO addition. A higher GO concentration results in a better CNT dispersion. The epoxy group is the preferred functional group with the highest Eint, followed by hydroxyl group. The hybridization between C p-O p orbital to form an ionic bond is the primary interaction to strengthen the adhesion between CNT and the epoxy group. For the hydroxyl and carboxyl groups, the interaction between CNT and the functional groups is ascribed to the characteristics of the C-H covalent bonds. The dispersion effect of GO on ac-CNT is more obvious than that of zz-CNT. The contact area between GO and CNT has a more significant impact on the interaction compared with the functional groups. Increasing the contact area is beneficial to improve the interaction between CNT and GO.