Graphene Nanoribbon Simulator of Vacancy Defects On Electronic Structure

Abstract

Graphene Nanoribbon Simulator (GNRSIM) is developed using MATLAB Graphical User Interface Development Environment to study the electronics properties of graphene nanoribbons (GNRs). The main focus of this research is the simulation effects of single vacancy 1 in graphene nanoribbons lattices on electronic structure. The band structure and density of states are explored by using tight binding approximation where a Hamiltonian operator with nearest-neighbor interactions is introduced. The simulator has a wide range of input parameters where user can select armchair or zigzag GNR. The size of the lattices namely width and length can be varied. The location of the vacancy defect can be pinpoint by providing the row and column of the missing atom. The limitation of GNRSIM at present is that it can only accept a single atom vacancy. GNRSIM is able to be executed as a standalone application software in understanding the fundamental properties of semiconductor material and device engineering through ab-initio calculations.

Novel electrical properties and applications in kaleidoscopic graphene nanoribbons

“…The bottom-up synthesis method has the latest development, which makes it possible to design and characterize atomically accurate GNRs, but the strategy to achieve GNRs metallicity has been elusive. [83][84][85][86][87][88][89][90][91][92][93][94][95][96] The half-metal degree is dependent on the system size, different symbols represent z-GNRs of different lengths. When changing the direction of the external electric elds (E ext ), the spin polarity of the carriers in the half-metal strip will also be reversed, because the induced potential at the edge changes its sign.…”

Influence of single vacancy defect at varying length on electronic properties of zigzag graphene nanoribbons

“…The nanoribbon system can be described by Hamiltonian matrix the elements [9,10]. A tight binding 4-ZGNR model is produced by disintegrating 4-ZGNRs' quasi-2D structure into an equivalent one-dimensional (1D) matrix system with alpha and beta matrices [11,12]. Figure 1…”