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Estimation on diffusion coefficient of lithium ions at the interface of LiNi0.5Mn1.5O4/electrolyte in Li-ion battery

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Abstract

This research tried to estimate diffusion coefficient for lithium ions through the surface of the spinel LiNi0.5Mn1.5O4 by spin-polarized total energy calculation. In addition, calculated result by this ab initio model was compared with a semi-empirical model. Both of these models predicted diffusion coefficient for lithium ions at the interface of the spinel LiNi0.5Mn1.5O4/electrolyte as 10−8 cm2 s−1 which is 3 orders of magnitude higher than the diffusion coefficient of lithium ions in LiNi0.5Mn1.5O4. Details of these two models have been explained in this paper along with calculated results for surface diffusion coefficient of LiNi0.5Mn1.5O4 cathode material.

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Authors and Affiliations

  1. Department of Mining and Metallurgical Engineering, Amirkabir University of Technology, Hafez Ave., P.O. Box 15875-4413, Tehran, Iran

    H. Seyyedhosseinzadeh, F. Mahboubi & A. Azadmehr

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  1. H. Seyyedhosseinzadeh
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  2. F. Mahboubi
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  3. A. Azadmehr
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Correspondence to H. Seyyedhosseinzadeh.

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Seyyedhosseinzadeh, H., Mahboubi, F. & Azadmehr, A. Estimation on diffusion coefficient of lithium ions at the interface of LiNi0.5Mn1.5O4/electrolyte in Li-ion battery. Ionics 21, 335–344 (2015). https://doi.org/10.1007/s11581-014-1189-x

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  • DOI: https://doi.org/10.1007/s11581-014-1189-x

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