Calculating the Electrical Conductivity of Graphene Nanoplatelet Polymer Composites by a Monte Carlo Method

Nanomaterials
Chao FangGeorge J Weng

Abstract

Electrical conductivity is one of several outstanding features of graphene-polymer nanocomposites, but calculations of this property require the intricate features of the underlying conduction processes to be accounted for. To this end, a novel Monte Carlo method was developed. We first established a randomly distributed graphene nanoplatelet (GNP) network. Then, based on the tunneling effect, the contact conductance between the GNPs was calculated. Coated surfaces (CSs) were next set up to calculate the current flow from the GNPs to the polymer. Using the equipotential approximation, the potentials of the GNPs and CSs met Kirchhoff's current law, and, based on Laplace equation, the potential of the CSs was obtained from the potential of the GNP by the walk-on-spheres (WoS) method. As such, the potentials of all GNPs were obtained, and the electrical conductivity of the GNP polymer composites was calculated. The barrier heights, polymer conductivity, diameter and thickness of the GNP determining the electrical conductivity of composites were studied in this model. The calculated conductivity and percolation threshold were shown to agree with experimental data.

References

Jul 21, 2006·Nature·Sasha StankovichRodney S Ruoff
Feb 3, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xihong PengAndrew Copple
Sep 26, 2012·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Maneesh MathewMartin Oettel
Mar 12, 2013·ACS Nano·Joshua T SmithChristos D Dimitrakopoulos
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Jan 14, 2016·Nano Letters·Luca Felix BanszerusChristoph Stampfer
Mar 25, 2017·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Xiaodong XiaGeorge J Weng

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