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Funct. Mater. 2019; 26 (1): 100-106.

doi:https://doi.org/10.15407/fm26.01.100

Composite &qout;graphene nanoplatelets - fluorine-containing polyamide&qout;: synthesis, properties and quantum-chemical simulation of electroconductivity

A.D.Kachkovsky1, E.L.Pavlenko2, E.V.Sheludko1, N.P.Kulish2, O.P.Dmitrenko2, V.A.Sendyuk2, P.S.Smertenko3, V.V.Kremenitsky4, O.P.Tarasyuk1, S.P.Rogalsky1

1V.Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 50 Kharkovskoe schosse, 02160 Kyiv, Ukraine
2T.Shevchenko Kyiv National University, Faculty of Physics, 64/13 Volodimirska Str., 03022 Kyiv, Ukraine
3V.Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, 41 Nauki Ave., 03028 Kyiv, Ukraine
4Technical Center, National Academy of Sciences of Ukraine, 13 Pokrovskaya Str., 04070 Kyiv, Ukraine

Abstract: 

Considered in the article is the basic possibility of increasing of electric conductivity of thermostable fluorine-containing aromatic polyamide by its doping with graphene platelets. The raised concentration of a conducting graphene phase (78 wt.%) in the top layer (~ 50 μm) of the film composite is established. The microstructure of cross-section of the film and topography of its surface are studied by SEM and AFM. Corresponding volt-ampere characteristics are resulted. Carried out here are quantum-chemical calculations of model system &qout;a polyamide fragment + graphene strip&qout;: localization of boundary and close molecular orbitals in the composite and also distribution of spin density of the composite in electric field. Conductivity of the composite is explained within the framework of stacking interaction between π-systems of the polymer and graphene.

Keywords: 
graphene platelets, polyamide, microstructure, stacking interaction, current-voltage characteristics, spin density, boundary orbital.
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