Pyroelectric properties of ferroelectric composites based on polyvinylidene fluoride (PVDF) with graphene and graphene oxide

Novel composites based on polymer ferroelectrics with graphene (G) and graphene oxide (GO) have many advantages over pristine materials. In this work, the results of the computational molecular modeling of the composite nanostructures are presented and analyzed. The calculations were focused on pyro...

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Bibliographic Details
Published in:Ferroelectrics 2019-03, Vol.541 (1), p.17-24
Main Authors: Bystrov, V. S., Bdikin, I. K., Silibin, M. V., Meng, X. J., Lin, T., Wang, J. L., Karpinsky, D. V., Bystrova, A. V., Paramonova, E. V.
Format: Article
Language:English
Subjects:
Composite materials
composites
Computer simulation
Empirical analysis
Ferroelectric materials
Ferroelectric polymers
Ferroelectricity
Fluorides
Graphene
Mathematical models
Molecular dynamics
molecular modeling
Nanomaterials
Nanotechnology
Organic chemistry
Polymer matrix composites
Polymers
Polyvinylidene fluorides
Pyroelectricity
Quantum chemistry
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Summary:Novel composites based on polymer ferroelectrics with graphene (G) and graphene oxide (GO) have many advantages over pristine materials. In this work, the results of the computational molecular modeling of the composite nanostructures are presented and analyzed. The calculations were focused on pyroelectric properties of the composites based on polyvinylidene fluoride (PVDF) films with G/GO layers. The pyroelectric effect was modeled and pyroelectric coefficients were calculated for several models using molecular dynamics simulation with quantum-chemical semi-empirical PM3 method from HyperChem tool. The obtained results present a new prospective for further studies of the ferroelectric polymer-graphene multifunctional nanomaterials and their applications.
ISSN:0015-0193
1563-5112
DOI:10.1080/00150193.2019.1574637