Modelling of the Piezoelectric and Pyroelectric properties of the Ferroelectric composites thin films based on the polyvinylidene fluoride (PVDF) with Graphene and Graphene Oxide layers and fibers

  • Vladimir Bystrov Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics, RAS, 142290 Pushchino, Moscow region, Russia
  • Maxim Silibin National Research University of Electronic Technology “MIET”,124498 Moscow, Russia
  • Xiangjian Meng National Lab. Infrared Physics, Shanghai Institute of Technical Physics, CAS, Shanghai, Chin
  • Tie Lin National Lab. Infrared Physics, Shanghai Institute of Technical Physics, CAS, Shanghai, Chin
  • Hong Shen National Lab. Infrared Physics, Shanghai Institute of Technical Physics, CAS, Shanghai, Chin
  • Bobo Tian National Lab. Infrared Physics, Shanghai Institute of Technical Physics, CAS, Shanghai, Chin
  • Jianlu Wang National Lab. Infrared Physics, Shanghai Institute of Technical Physics, CAS, Shanghai, Chin
  • Dmitry Karpynsky Scientific-Practical Materials Research Centre of NAS of Belarus, Minsk, Belarus
  • Anna Bystrova Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics, RAS, 142290 Pushchino, Moscow region, Russia; Riga Technical University, Biomed. Eng. and Nanotechnology Inst., Riga, Latvia
  • Ekaterina Paramonova Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics, RAS, 142290 Pushchino, Moscow region, Russia
DOI: https://doi.org/10.34624/nmse.v2i2.9711
Keywords: ferroelectric polymers, graphene/graphene oxide, modeling, piezoelectricity, pyroelectricity

Abstract

Recent results in modelling and computational studies of new composite nanomaterials based on polymer ferroelectrics and graphene/graphene oxide structures are reviewed. Main findings of the computational molecular modelling and calculations of the plane layered and fibers nanostructures, as well as multi-layered structures, and the piezoelectric and pyroelectric properties of the composites, consisting of polyvinylidene
fluoride (PVDF) thin films and graphene/graphene oxide are analysed. The piezoelectric and pyroelectric effects were modelled, both piezo- and pyro-electric coefficients were calculated for several models, using various methods from HyperChem software tool, including molecular dynamics (MD) simulation with quantum-chemical semi-empirical PM3 method. The results obtained provide important insights into our understanding of the mechanisms of piezoelectricity and pyroelectricity in these new nanocomposites, give us new perspectives for further studies of the ferroelectric polymer-graphene nanomaterials.

Published
2020-06-01
Issue
Vol 2 No 2 (2020): Nanomaterials Science & Engineering
Section
Articles

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