Island-Type Graphene-Nanotube Hybrid Structures for Flexible and Stretchable Electronics: In Silico Study

Abstract

Using the self-consistent charge density functional tight-binding (SCC-DFTB) method, we study the behavior of graphene-carbon nanotube hybrid films with island topology under axial deformation. Hybrid films are formed by AB-stacked bilayer graphene and horizontally aligned chiral single-walled carbon nanotubes (SWCNTs) with chirality indices (12,6) and 1.2 nm in diameter. In hybrid films, bilayer graphene is located above the nanotube, forming the so-called “islands” of increased carbon density, which correspond to known experimental data on the synthesis of graphene-nanotube composites. Two types of axial deformation are considered: stretching and compression. It has been established that bilayer graphene-SWCNT (12,6) hybrid films are characterized by elastic deformation both in the case of axial stretching and axial compression. At the same time, the resistance of the atomic network of bilayer graphene-SWCNT (12,6) hybrid films to failure is higher in the case of axial compression. Within the framework of the Landauer-Buttiker formalism, the current-voltage characteristics of bilayer graphene-SWCNT (12,6) hybrid films are calculated. It is shown that the slope of the current-voltage characteristic and the maximum values of the current are sensitive to the topological features of the bilayer graphene in the composition of graphene-SWCNT (12,6) hybrid film. Based on the obtained results, the prospects for the use of island-type graphene-nanotube films in flexible and stretchable electronic devices are predicted.