Hybrid Films Based on Bilayer Graphene and Single-Walled Carbon Nanotubes: Simulation of Atomic Structure and Study of Electrically Conductive Properties.

Abstract

One of the urgent problems of materials science is the search for the optimal combination of graphene modifications and carbon nanotubes (CNTs) for the formation of layered hybrid material with specified physical properties. High electrical conductivity and stability are one of the main optimality criteria for a graphene/CNT hybrid structure. This paper presents results of a theoretical and computational study of the peculiarities of the atomic structure and the regularities of current flow in hybrid films based on single-walled carbon nanotubes (SWCNTs) with a diameter of 1.2 nm and bilayer zigzag graphene nanoribbons, where the layers are shifted relative to the other. It is found that the maximum stresses on atoms of hybrid film do not exceed ~0.46 GPa for all considered topological models. It is shown that the electrical conductivity anisotropy takes place in graphene/SWCNT hybrid films at a graphene nanoribbon width of 4 hexagons. In the direction along the extended edge of the graphene nanoribbon, the electrical resistance of graphene/SWCNT hybrid film reaches ~125 kOhm; in the direction along the nanotube axis, the electrical resistance is about 16 kOhm. The prospects for the use of graphene/SWCNT hybrid films in electronics are predicted based on the obtained results.