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

dc.contributor.authorDing, Yen_AU
dc.contributor.authorHe, Ben_AU
dc.contributor.authorWang, Den_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorLi, YJen_AU
dc.contributor.authorShi, Sen_AU
dc.date.accessioned2024-02-29T00:48:36Zen_AU
dc.date.available2024-02-29T00:48:36Zen_AU
dc.date.issued2023-01en_AU
dc.date.statistics2024-02-29en_AU
dc.description.abstractInorganic–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)en_AU
dc.description.sponsorshipWe are grateful to the developers of the pymatgen python library [54]. Funding: This work was supported by the National Key Research and Development Program of China (No. 2021YFB3802104), the National Natural Science Foundation of China (Nos. U2030206 and 11874254), and the Shanghai Municipal Science and Technology Commission (No. 19DZ2252600). Author contributions: Y.D. wrote the initial draft of the manuscript. Y.D. and B.H. jointly developed the program. M.A., Y.L., and D.W. helped to revise the manuscript. S.S. was responsible for the conceptualization, writing, and management. All authors read and approved the final manuscript. Competing interests: The authors declare that they have no competing interests.en_AU
dc.identifier.citationDing, Y., He, B., Wang, D., Avdeev, M., Li, Y., & Shi, S. (2023). Software for evaluating ionic conductivity of inorganic–polymer composite solid electrolytes. Energy Material Advances, 4, 0041. https://doi.org/doi:10.34133/energymatadv.0041en_AU
dc.identifier.issn2692-7640en_AU
dc.identifier.journaltitleEnergy Material Advancesen_AU
dc.identifier.urihttps://doi.org/10.34133/energymatadv.0041en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15484en_AU
dc.identifier.volume4en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherAmerican Association for the Advancement of Scienceen_AU
dc.subjectComputer codesen_AU
dc.subjectIonic conductivityen_AU
dc.subjectInorganic polymersen_AU
dc.subjectSolid Electrolytesen_AU
dc.subjectMaterialsen_AU
dc.subjectNanoparticlesen_AU
dc.subjectNanocompositesen_AU
dc.subjectOrder-disorder modelen_AU
dc.titleSoftware for evaluating ionic conductivity of inorganic–polymer composite solid electrolytesen_AU
dc.typeJournal Articleen_AU
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