Software for evaluating ionic conductivity of inorganic–polymer composite solid electrolytes

Abstract

Inorganic–polymer composite solid electrolytes (IPCSEs) obtained by filling the polymer matrix with inorganic materials usually have higher ionic conductivity compared with individual phases. This important increase in ionic conductivity is explained in terms of the new percolation paths formed by the highly conductive interface between inorganic filler and polymer. The conduction in such systems can be investigated using the effective medium theory (EMT) and random resistance model (RRM). EMT can be used to analyze the effect of filler size on the ionic conductivity of disordered IPCSEs, while RRM can describe the composites with inorganic fillers of various shapes (nano-particles, nano-wires, nano-sheets, and nano-networks) in ordered or disordered arrangement. Herein, we present software evaluating the ionic conductivity in IPCSEs by combining EMT and RRM. The approach is illustrated by considering the size, shapes, and arrangements of inorganic fillers. The ionic conductivities of different types of IPCSEs are predicted theoretically and found in good agreement with the experimental values. The software can be used as an auxiliary tool to design composite electrolytes. © 2023 Yuqing Ding et al. Exclusive licensee Beijing Institute of Technology Press. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution License 4.0 (CC BY 4.0)