The recent achievements in the field of computer modelling as well comparison with the experimental studies of new nano-composite materials based on the polymer ferroelectrics and graphene / oxide graphene are presented in this review lecture. The main results of the computer molecular modelling of the various nanostructures, its physical properties, such as, the polarization changes and polarization switching, piezoelectric and pyroelectric properties of such nanocomposites constructed from thin films of polyvinylidene fluoride (PVDF) / poly (vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) and grapheme / graphene oxide (G/GO) were calculated and analyzed in comparison with various known experimental data at the nanoscale, in particular, with the data of atomic force and piezoresponse force microscopy (AFM/ PFM).
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