Conjoined structures of carbon nanotubes and graphene nanoribbons

Abstract

Hybrid materials built from conjoined structures of graphene nanoribbons (GNRs) and carbon nanotubes (CNTs) have important properties for novel applications. In this communication we have performed a numerical study of these structures and have found two types: (i) CNT and GNR structures formed by van der Waals forces with a distance close to 0.35 nm and (ii) CNT and GNR structures interconnected by short (0.17 nm) and strong chemical bonds. It appears that the latter bonds essentially perturb conjoined carbon C6 rings. The reason for the perturbation is the pseudo-Jahn–Teller effect.

Pseudo Jahn–Teller effect in stacked benzene molecules

“…In previous theoretical research [2] we have found that a benzene molecule can form a chemically bound state with graphene sheet; analogous bound states were found for graphene nanoribbons and carbon nanotubes [3]. Our calculations have shown that the conjoined C 6 rings in the bound CNTs and GNRs are strongly distorted.…”

“…Such conjoined structures are numerically found to exist for two graphene sheets [1] and for benzene molecule and graphene [2]. Moreover, as it follows from calculations [3], graphene nanoribbons and carbon nanotubes may also form chemically bound states. In all these cases chemical bonds are established between the adjoined carbon atoms in parallel C 6 rings in a hollow position (here i.e.…”

“…[3] it was found that not all intra-p-bonds of conjoined C 6 rings are switched off to inter-r-bonds in the same way: the rearrangement of different bonds takes place differently. Some bonds are rearranged changing sp 2 to sp 3 hybridized orbitals, others not.…”

Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes

“…In addition, nanocomposites consisting of NTs, GNRs, and other nanomaterials are expected to possess novel electrical and mechanical properties beyond those of the individual components. Therefore, they have attracted much attention in recent years [5][6][7].…”

Mechanical characteristics of graphene nanoribbons encapsulated in single-walled carbon nanotubes using molecular dynamics simulations

“…In the recent years, the hybrid nanocomposites built from the nanostructure of CNTs and GNRs have also attracted great interest [6][7][8].…”