Modeling of graphene-based NEMS

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.

19 pages, 4 figures

References in corpus (5)

• Electric Field Effect in Atomically Thin Carbon Films
• Self-Retracting Motion of Graphite Microflakes
• Molecular Motor Constructed from a Double-Walled Carbon Nanotube Driven by Axially Varying Voltage
• Dissipation and fluctuations in nanoelectromechanical systems based on carbon nanotubes
• Nanotube-Based NEMS: Control vs. Thermodynamic Fluctuations

Cited by in corpus (17)

• Inter-layer Potential for Hexagonal Boron Nitride
• Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
• Elastic constants of graphene: Comparison of empirical potentials and DFT calculations
• Barriers to motion and rotation of graphene layers based on measurements of shear mode frequencies
• Molecular dynamics simulation of the self-retracting motion of a graphene flake
• Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
• Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction
• Atomic-scale defects restricting structural superlubricity: Ab initio study study on the example of the twisted graphene bilayer
• AA stacking, tribological and electronic properties of double-layer graphene with krypton spacer
• Ab initio study of edge effect on relative motion of walls in carbon nanotubes
• Van der Waals interlayer potential of graphitic structures: from Lennard-Jones to Kolmogorov-Crespy and Lebedeva models
• Universal description of potential energy surface of interlayer interaction in two-dimensional materials by first spatial Fourier harmonics
• Structure, energetic and tribological properties, and possible applications in NEMS of argon-separated double-layer graphene
• Interlayer interaction, shear vibrational mode, and tribological properties of two-dimensional bilayers with a commensurate moiré pattern
• Restriction of macroscopic structural superlubricity due to structure relaxation by the example of twisted graphene bilayer
• Robust structural superlubricity of twisted graphene bilayer and domain walls between commensurate moiré pattern domains from first-principles calculations
• Molecular Dynamics Simulation Study of Carbon-Nanotube Oscillator in Graphene Nanoribbon Trench