Graphene and carbon nanotubes

Adsorption of lithium on a carbon nanotube with a vacancy defect.

The values of binding energies of carbon nanostructures with the nonconventional geometry of framework calculated using the density functional theory can substantially differ from each other depending on the chosen DFT-functional.

In this paper, we study some low-dimensional bushes of nonlinear normal modes in graphene using ab initio calculations based on the density functional theory. The amplitude-frequency dependencies of one-dimensional bushes are found. The excitation transfer between nonlinear vibrational modes of different symmetry that belong to the same bush is investigated.