Mater.Phys.Mech.(MPM)
No 1, Vol. 35, 2018, pages 71-79

GRAPHANE: DISCRETE BREATHERS FOR DEHYDROGENATION

E.A. Korznikova, J.A. Baimova, I.P. Lobzenko, B. Liu, S.V. Dmitriev, K. Zhou

Abstract

Clusters of discrete breathers in fully hydrogenated graphene (also called graphane) are studied by means of molecular dynamics simulation. The energy exchange between gap discrete breathers is studied for clusters composed of two and three discrete breathers. It is shown that difference in the initial amplitude or in the initial vibration phase of discrete breathers affect the energy exchange between them. It is shown that the life time of single discrete breather in thermal equilibrium at 50 K is of order of 10 ps.

Keywords: nonlinear dynamics; discrete breather; intrinsic localized mode; graphene; graphane; dehydrogenation.

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