Ab Initio Study of Optical Properties of Hybrid Films Based on Bilayer Graphene and Single-Walled Carbon Nanotubes

In recent years, the possibility of combining graphene and carbon nanotubes has attracted much attention from researchers attempting to obtain new multifunctional hybrid materials with promising properties. Optoelectronics shows potential as a field application for such structures. The variety existing structural configurations graphene-nanotube hybrids requires preliminary detailed studies their optical properties by computer simulation methods. this paper, we consider island-type films formed AB-stacked bilayer single-walled (SWCNTs). case, is located above surface nanotube, forming areas an increased density atoms, creating so-called “islands.” To meet conditions real experiment, chose chiral SWCNTs (12,6) diameter 1.2 nm, which are most often synthesized in experiments. All constructed atomistic models graphene-chiral SWCNT were tested thermodynamic stability at room temperature proved suitability research. Using Kubo-Greenwood formalism, calculated complex conductivity tensor absorbance coefficient wavelengths ultraviolet, visible, near-infrared radiations. photocurrent spectra based on obtained absorption solar radiation earth’s (AM1.5) outside atmosphere (AM0). results calculations revealed regularities influence parameters (nanotube diameter, width) optoelectronic island structure.