Electronic and adsorptive properties of deformed graphene are investigated in the current work. Armchair and zigzag nanoribbons are the subject of the study. The axial compression was a deforming load. A calculation method for the local stress field was developed. This method was based on the quantum model of the finite graphene nanoribbon and empirical calculation method of the single atom energy. The stress field of the deformed ribbon was calculated by means of the suggested methodology. The effects of the atomic grid curvature on the adsorptive capacity of graphene and the hydrogenation process was investigated by means of the developed method. The prediction of the appearance of defects on covalent C–C bond breakdown is also performed.

We compute the Casimir force between two parallel and infinitely long carbon nanotubes. The force induced by fluctuations of the electromagnetic field follows from the Maxwell stress tensor, expressed in terms of the correlators of the fields which are obtained from the Green's function and the fluctuation-dissipation theorem for the current density. We show how the force depends on the distance between the nanotubes, as well as on their chiralities and semiconducting or metallic natures. We also analyze the convergence of the approximation we use that replaces integrals in frequency by sums over complex Matsubara frequencies. The methodology presented and the results obtained can contribute to the understanding of how electromagnetic fluctuations induce Casimir forces in complex microstructured geometries.

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.

The atomic structure of energetically stable composites based on carbon nanotubes and graphene has been studied. The energy stability has been determined from the change in the total energy of the studied system. It has been found that the geometric parameters of the nanotube affect the stability of the minimum structural link of the composite. The structural configuration of the composite with armchair nanotubes 12.12 Å in diameter and 18.44 Å in length exhibits the highest stability. It has been shown that the energy stability of the composite increases with an increase in the number of links in it.