Numerical Characterization for Electrical Conductivity of Two-Dimensional Nanocomposite Systems with Conducting Fiber Fillers

Materials (Basel). 2020 May 24;13(10):2410. doi: 10.3390/ma13102410.

Abstract

Hybrid nanotube composite systems with two different types of fillers attract considerable attention in several applications. The incorporation of secondary fillers exhibits conflicting behaviors of the electrical conductivity, which either increases or decreases according to the dimension of secondary fillers. This paper addresses quantitative models to predict the electrical performance in the configuration of two dimensional systems with one-dimensional secondary fillers. To characterize these properties, Monte Carlo simulations are conducted for percolating networks with a realistic model with the consideration of the resistance of conducting NWs, which conventional computational approaches mostly lack from the common assumption of zero-resistance or perfect conducting NWs. The simulation results with nonperfect conductor NWs are compared with the previous results of perfect conductors. The variation of the electrical conductivity reduces with the consideration of the resistance as compared to the cases with perfect conducting fillers, where the overall electrical conductivity solely originates from the contact resistance caused by tunneling effects between NWs. In addition, it is observed that the resistance associated with the case of invariant conductivity with respect to the dimension of the secondary fillers increases, resulting in the need for secondary fillers with the increased scale to achieve the same electrical performance. The results offer useful design guidelines for the use of a two-dimensional percolation network for flexible conducting electrodes.

Keywords: Monte Carlo simulation; electrical conductivity; nano-composites; percolation networks.