Molecular Dynamics Study on the Resonance Properties of a Nano Resonator Based on a Graphene Sheet with Two Types of Vacancy Defects

Wenchao Tian,Xiaohan Liu,Yongkun Wang,Wenhua Li

doi:10.3390/app7010079

Abstract

Due to the excellent electronic, optical, thermal, chemical, and mechanical properties of graphene, it has been applied in microdevices and nanodevices. However, there are some structural defects in graphene limiting its application in micro electromechanical systems (MEMS). These structural defects are inevitable during processing, and it is difficult to assess their effect on the micro/nano devices. Therefore, this communication used molecular dynamics to study the resonance properties of a nanoelectromechanical systems (NMES) resonator based on a graphene sheet with a single vacancy defect and edge defects. This communication focuses on three factors: vacancy types, external force, and temperature. The resonance frequencies of both types of graphene increased with external stress loading, and the resonance frequency of the graphene showed a clear step-shaped variation. Nonlinear deformation of the sheet occurred between resonant processes. When the external force was less than 15.91 nN, the resonance frequencies of the two types of graphene showed a consistent trend. The maximum frequency was up to 132.90 GHz. When the external force was less than 90 nN, the resonance frequencies of graphene with edge defects were greater and changed more rapidly. Temperature did not have a huge influence on the resonance frequencies of either type of graphene structure. The resonance frequencies of graphene with two different vacancy defects showed a consistent trend.

Highlights

Graphene—a novel low-dimensional nano-material where carbon atoms are arranged in a honeycomb-structure—is formed by a flat monolayer of carbon atoms [1]
In 2014, Rajan et al [10] found that the electron transmission of a graphene nanoribbon on which a molecule is adsorbed shows molecular fingerprints of Fano resonances, which can be used to devise an ultrasensitive Fano-resonance-driven deoxyribonucleic acid (DNA) sequencing method
Thesheets effect with of defect type, types external vacancies was investigated by molecular dynamics simulation

Summary

Introduction

Graphene—a novel low-dimensional nano-material where carbon atoms are arranged in a honeycomb-structure—is formed by a flat monolayer of carbon atoms [1]. Due to its outstanding mechanical and electrical properties [2,3,4,5], graphene has broad application prospects, such as micro–nano devices [6,7,8], reinforcing materials, and photoelectric detection. Investigated a fast and reliable deoxyribonucleic acid (DNA) sequencing device. The feasibility of DNA sequencing using a fluidic nanochannel functionalized with a graphene nanoribbon was theoretically demonstrated. In 2014, Rajan et al [10] found that the electron transmission of a graphene nanoribbon on which a molecule is adsorbed shows molecular fingerprints of Fano resonances, which can be used to devise an ultrasensitive Fano-resonance-driven DNA sequencing method. The resonant properties of the monolayer and multilayer graphene were analyzed

Methods

Results

Conclusion