Graphene/graphene oxide and polyvinylidene fluoride polymer ferroelectric composites for multifunctional applications

resumo

We perform computational molecular modeling of graphene/graphene oxide (G/GO) and polyvinylidene fluoride (PVDF) ferroelectric polymer composite nanostructures, using semi-empirical quantum approximation PM3 in HyperChem. Piezoelectric properties of these nanostructures are analyzed in comparison with experimental data obtained for poly(vinylidene fluoride-trifluoroethylene) P(VDF-TrFE)-GO thin films. Modeling shows qualitative agreement of properties and lowering of piezoelectric coefficient d(33eff) values under influence of G/GO layers. Modeling of GO-methane-hydrates nanostructures based on hexagonal ice model shows that after relaxation the system keeps a stable deformed state. This can serve for gas-hydrates storage and separation. Modeled composites could be used as multifunctional molecular units.

palavras-chave

GRAPHENE OXIDE; PEPTIDE NANOTUBES; NANOSCALE; PVDF; NANOCOMPOSITES; POLARIZATION; GLYCINE; CARBONS; BIOFERROELECTRICITY; PERFORMANCE

categoria

Materials Science; Physics

autores

Bystrov, VS; Bdikin, IK; Silibin, MV; Karpinsky, DV; Kopyl, SA; Goncalves, G; Sapronova, AV; Kuznetsova, T; Bystrova, VV

nossos autores

agradecimentos

The authors wish to acknowledge the Russian Science Foundation (grant 16-19-10112).

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