Modeling of graphene-based NEMS

TL;DR

This paper develops a new potential model for bilayer graphene's interlayer interactions and investigates the dynamics of graphene-based NEMS, highlighting their vibrational properties and potential applications.

Contribution

A novel potential based on density functional theory with dispersion correction is introduced for bilayer graphene, enabling accurate modeling of interlayer interactions in NEMS.

Findings

Small Q-factor vibrations in graphene layers identified

Potential for designing graphene-based NEMS with relative motion

Molecular dynamics simulations reveal vibrational characteristics

Abstract

The possibility of designing nanoelectromechanical systems (NEMS) based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of interlayer interaction energy in bilayer graphene are performed. A new potential based on the density functional theory calculations with the dispersion correction is developed to reliably reproduce the potential relief of interlayer interaction energy in bilayer graphene. Telescopic oscillations and small relative vibrations of graphene layers are investigated using molecular dynamics simulations. It is shown that these vibrations are characterized with small Q-factor values. The perspectives of nanoelectromechanical systems based on relative motion or vibrations of graphene layers are discussed.