Dielectric relaxation of 4-cyano-4-n-pentylbiphenyl (5CB) thin layer adsorbed on carbon nanotube – MD simulation

The ultra-thin layer of mesogenous molecules 5CB adsorbed on a single walled carbon nanotube (SWNT) has been studied by molecular dynamics (MD) simulation method. The focus was on the temperature dependence (200 K < T < 350 K) and time evolution of the total dipole moment autocorrelation function. The frequency dependence of the dielectric loss of ultra-thin mesogene layer covering carbon nanotube has been also studied. The layer reveals a non-Debye dielectric relaxation. The shape of dielectric loss spectrum significantly depends on the temperature of the system studied.