|
authors |
Bystrov, VS; Bdikin, IK; Silibin, MV; Karpinsky, DV; Kopyl, SA; Goncalves, G; Sapronova, AV; Kuznetsova, T; Bystrova, VV |
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nationality |
International |
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journal |
FERROELECTRICS |
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author keywords |
Ferroelectric polymers; piezoelectrics; molecular modeling; graphene/graphene oxide; composites; piezoresponse force microscopy; gas-hydrates |
|
keywords |
GRAPHENE OXIDE; PEPTIDE NANOTUBES; NANOSCALE; PVDF; NANOCOMPOSITES; POLARIZATION; GLYCINE; CARBONS; BIOFERROELECTRICITY; PERFORMANCE |
|
abstract |
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. |
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publisher |
TAYLOR & FRANCIS LTD |
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issn |
0015-0193 |
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isbn |
1563-5112 |
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year published |
2017 |
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volume |
509 |
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issue |
1 |
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beginning page |
124 |
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ending page |
142 |
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digital object identifier (doi) |
10.1080/00150193.2017.1295745 |
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web of science category |
Materials Science, Multidisciplinary; Physics, Condensed Matter |
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subject category |
Materials Science; Physics |
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unique article identifier |
WOS:000401196300017
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