Modeling of graphene-based NEMS

The possibility of designing nanoelectromechanical systems based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of the interlayer interaction energy of 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 the interlayer interaction energy of 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. (C) 2011 Elsevier B.V. All rights reserved.