A Theoretical Study on Charge Transfer of Twisted T-Graphene Nanoribbon Surface

Abstract

Non-equilibrium Green’s functions (NEGF) combined with tight-binding (TB) model, are utilized to study the charge transport properties of the twisted armchair tetragonal-graphene nanoribbons (ATGNRs). The present work has considered twisted deformation of ATGNR for the different angles. The results revealed that the action of twisting leads to an outstanding effect on the charge transport features of a T-graphene device. It will be stated that bandstructure is reduced by increasing the width of ATGNR. Moreover, I-V characteristics are carefully illustrated and it is proved that the electronic conduction becomes gradually stronger with the twisted angle increasing from 0° to 360° angles. Bandstructure of electrodes, Density of states (DOS), transmission spectrum, the molecular projected self-consistent Hamiltonian (MPSH) and I-V characteristics are discussed thus making the charge transport properties of ATGNR devices elucidated. The obtained results can provide a valuable guideline for designing of T-graphene nanoribbons in developing nano-scale devices.