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.

Highlights

  • Technological advances and innovations are key catalysts towards new discoveries on new materials that will revolutionize electronic devices

  • The user will be able to identify that different armchair-edge graphene nanoribbon (AGNR) and zigzag-edge graphene nanoribbon (ZGNR) have their own shape of band structure

  • Graphene Nanoribbon Simulator (GNRSIM) is a promising educational tool to be utilized by the instructors and researchers towards comprehension and simulation on the electronic property of graphene

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Summary

Introduction

Technological advances and innovations are key catalysts towards new discoveries on new materials that will revolutionize electronic devices. People have had to deal with electronic gadgets, leading to many advantages and disadvantages. As the use of electronic gadgets has become a part of human daily life in this modernization, with a multitude of uses at consumers’ fingertips, research must explore this area further. Electronic gadgets, or electronic devices, are commonly composed of metal-oxide semiconductors (MOS) in integrated circuits (ICs). This rule has shifted its driving-forces more than once before; from counting transistors that the industry pivoted, to transistor size-and cost-scaling due to the limits of on-chip size and complexity [1]

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