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Insight into lithium-sulfur batteries: Elementary kinetic modeling and impedance simulation

Fronczek, David Norman and Bessler, Wolfgang Georg (2013) Insight into lithium-sulfur batteries: Elementary kinetic modeling and impedance simulation. Journal of Power Sources, 244, pp. 183-188. Elsevier. DOI: 10.1016/j.jpowsour.2013.02.018 ISSN 0378-7753

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Abstract

We present a model of the lithiumesulfur (Li/S) battery based on a multi-step, elementary sulfur reduction mechanism including dissolved polysulfide anions. The model includes a description of the evolution of solid phases in the carbon/sulfur composite cathode as well as multi-component (Li+, PF6-, S8, S8--, S6--, S4--, S2--, S--) mass and charge transport in the liquid electrolyte. The chemical reaction mechanism consists of a Li/Li+ oxidation reaction at the anode and a six-step polysulfide reduction mechanism at the cathode. The modeling framework allows for the simulation of charge and discharge profiles as well as electrochemical impedance spectra. The latter are obtained via a voltage step/current relaxation technique based on the physicochemical model without the need for applying equivalent circuit models. The results indicate that the discharge behavior of this Li/S cell is governed by the presence of solid reactant and product phases in exchange with the dissolved polysulfide anions. The first and last stages of the discharge are characterized by the presence of solid S8 and Li2S, respectively, while the intermediate stage corresponds to a situation where all chemical compounds are dissolved in the electrolyte.

Item URL in elib:https://elib.dlr.de/83859/
Document Type:Article
Title:Insight into lithium-sulfur batteries: Elementary kinetic modeling and impedance simulation
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Fronczek, David Normandavid.fronczek (at) dlr.deUNSPECIFIED
Bessler, Wolfgang Georgwolfgang.bessler (at) hs-offenburg.deUNSPECIFIED
Date:21 February 2013
Journal or Publication Title:Journal of Power Sources
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:244
DOI :10.1016/j.jpowsour.2013.02.018
Page Range:pp. 183-188
Publisher:Elsevier
Series Name:16th International Meeting on Lithium Batteries
ISSN:0378-7753
Status:Published
Keywords:Lithium-sulfur battery Modeling Simulation Electrochemical impedance spectroscopy EIS Polysulfides
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion and Use (old)
HGF - Program Themes:Fuel Cells (old)
DLR - Research area:Energy
DLR - Program:E EV - Energy process technology
DLR - Research theme (Project):E - Elektrochemische Prozesse (old)
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Fronczek, David N.
Deposited On:15 Aug 2013 10:51
Last Modified:31 Jul 2019 19:41

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