Email this article Migration of lithium ions in a nonaqueous Nafion-based polymeric electrolyte: Quantum-chemical modeling
- Authors: Zyubina T.S.1, Zyubin A.S.1, Dobrovol’skii Y.A.1, Volokhov V.M.1
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Affiliations:
- Institute of Problems of Chemical Physics
- Issue: Vol 61, No 12 (2016)
- Pages: 1545-1553
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/166961
- DOI: https://doi.org/10.1134/S0036023616120238
- ID: 166961
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Abstract
In the framework of the search for promising electrolytes for lithium-ion batteries. quantum-chemical modeling of the structure. Stability, and electronic properties of membranes based on LiNafion*dimethyl sulfoxide (LiNafion*nDMSO, n = 0–18) has been performed. It has been demonstrated that similar membranes are good candidates from the viewpoint of lithium ion transport with barriers of 0.2–0.3 eV, which depend on the number of DMSO molecules per lithium atom.
About the authors
T. S. Zyubina
Institute of Problems of Chemical Physics
Email: zyubin@icp.ac.ru
Russian Federation, pr. Akademika Semenova 1, Chernogolovka, Moscow oblast, 142432
A. S. Zyubin
Institute of Problems of Chemical Physics
Author for correspondence.
Email: zyubin@icp.ac.ru
Russian Federation, pr. Akademika Semenova 1, Chernogolovka, Moscow oblast, 142432
Yu. A. Dobrovol’skii
Institute of Problems of Chemical Physics
Email: zyubin@icp.ac.ru
Russian Federation, pr. Akademika Semenova 1, Chernogolovka, Moscow oblast, 142432
V. M. Volokhov
Institute of Problems of Chemical Physics
Email: zyubin@icp.ac.ru
Russian Federation, pr. Akademika Semenova 1, Chernogolovka, Moscow oblast, 142432
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