English

Graphane -- material for hydrogen storage, breathers and kinks

Materials Science 2020-07-07 v1

Abstract

In this paper we study the graphane. The Frenkel-Kontorova model on hexagonal lattice was used. We studied the case of one H atom above the C atom in the plane of graphane (we used the approximation of the hexagonal lattice in the plane). Continuous limit of the Lagrange-Euler equations is found from the Hamiltonian for HH atoms motion, they enabled us to study kink and breather excitations of HH atoms in the HH plane above the CC plane. We have found that there are three cases in the one HH atom motion The case 11, when the HH atom is at the position which is below the position at which it is desorbed. Then the motion of this HH atom at time tht_{h} is described. The case 22, when the HH atom is at the position of the suppressed atom HH in the direction to the CC (nearer) atom. This HH atom will be desorbed from the graphane going through the minimum of the potential energy and then through the point of desorption. Its motion of at time tht_{h} is described. The case 33, when the HH atom is near the position of small oscillations near the potential energy minimum. The position of the atom HH at the time t0t_{0} is the position to which the atom HH was excited with external force. The lattice of HH atoms in graphane may be excited as described by the kink solution of the Sine-Gordon equation. The kink has its velocity UU, U2<1 U^{2} < 1, and in time TT and in XX^{'} coordinate direction localization. The Sine-Gordon equation has the breather solution in the XX^{'} direction. There ω\omega is the frequency of the breather, T0T_{0} and X0X^{'}_{0} are in time TT and in XX^{'} direction localization.

Keywords

Cite

@article{arxiv.2007.02313,
  title  = {Graphane -- material for hydrogen storage, breathers and kinks},
  author = {Matej Hudak and Ondrej Hudak},
  journal= {arXiv preprint arXiv:2007.02313},
  year   = {2020}
}

Comments

32 pages

R2 v1 2026-06-23T16:51:45.754Z