Графен/Нанотрубные Квази-1d-Структуры В Сильных Электрических Полях

Abstract

In silico studies of the behavior of graphene/nanotube quasi-one-dimensional (1D) structures with covalent bonded graphene and nanotube in strong electric fields with a strength of 10^7–10^8 V/cm have been carried out. The atomic structure, band structure, electron transmission function, electrical conductivity, and regularity of the electronic structure changes in strong fields have been studied. It is found that the electron transmission function of quasi-1D structures has an intensity peak at the Fermi level in contrast to nanotubes and graphene. As a result of quantum molecular dynamics modeling, the regularities of deformation of the atomic framework and its destruction under the action of ponderomotive force have been established. We have found a critical value of the strength at which the electric field detaches the graphene from the tube. It is ~ 2 ∙ 10^8 V/cm. A further increase leads to the detachment of graphene from the tube with its simultaneous destruction.