Transport properties of polysulfide species in lithium-sulfur battery electrolytes: Coupling of experiment and theory

M. Safari; C. Y. Kwok; L. F. Nazar

doi:10.1021/acscentsci.6b00169

Transport properties of polysulfide species in lithium-sulfur battery electrolytes: Coupling of experiment and theory

M. Safari, C. Y. Kwok, L. F. Nazar

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73 Scopus citations

Abstract

A comprehensive experimental and theoretical analysis of the isothermal transport of species for the two model ternary-electrolytes with LiTFSILi₂S₄/ dioxolane (DOL)-dimethoxyethane (DME) and LiTFSI-Li₂S₆/DOL-DME formulations is presented. An unambiguous picture of the polysulfide's mobility is set forth after a detailed investigation of the macroscopic transference number and diffusion coefficients. The new findings of incongruent diffusion for Li₂S₄ species and high significance of cross-term diffusion coefficients reformulate a fledgling view of the prevalent redox-shuttle phenomena. The practical implications of this complex mechanism are discussed in detail.

Original language	English
Pages (from-to)	560-568
Number of pages	9
Journal	ACS Central Science
Volume	2
Issue number	8
DOIs	https://doi.org/10.1021/acscentsci.6b00169
State	Published - Aug 24 2016
Externally published	Yes

Funding

We gratefully acknowledge the BASF International Scientific Network for Electrochemistry and Batteries for funding. L.F.N. thanks NSERC for a Canada Research Chair, and support via their Discovery Grants program. CYK also thanks the Government of Ontario for Ontario Graduate Scholarship.

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abstract = "A comprehensive experimental and theoretical analysis of the isothermal transport of species for the two model ternary-electrolytes with LiTFSILi2S4/ dioxolane (DOL)-dimethoxyethane (DME) and LiTFSI-Li2S6/DOL-DME formulations is presented. An unambiguous picture of the polysulfide's mobility is set forth after a detailed investigation of the macroscopic transference number and diffusion coefficients. The new findings of incongruent diffusion for Li2S4 species and high significance of cross-term diffusion coefficients reformulate a fledgling view of the prevalent redox-shuttle phenomena. The practical implications of this complex mechanism are discussed in detail.",

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AB - A comprehensive experimental and theoretical analysis of the isothermal transport of species for the two model ternary-electrolytes with LiTFSILi2S4/ dioxolane (DOL)-dimethoxyethane (DME) and LiTFSI-Li2S6/DOL-DME formulations is presented. An unambiguous picture of the polysulfide's mobility is set forth after a detailed investigation of the macroscopic transference number and diffusion coefficients. The new findings of incongruent diffusion for Li2S4 species and high significance of cross-term diffusion coefficients reformulate a fledgling view of the prevalent redox-shuttle phenomena. The practical implications of this complex mechanism are discussed in detail.

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Transport properties of polysulfide species in lithium-sulfur battery electrolytes: Coupling of experiment and theory

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