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Insight Into Li/S Batteries: Elementary Kinetic Modeling and Impedance Simulation

Fronczek, David Norman and Bessler, Wolfgang Georg (2012) Insight Into Li/S Batteries: Elementary Kinetic Modeling and Impedance Simulation. 16th International Meeting on Lithium Batteries, 17-22 Jun 2012, ICC Jeju, South Korea.



The lithium-sulfur (Li/S) battery is one of the most promising systems for portable electrochemical energy storage [1]. The complex redox chemistry of sulfur, the large number of soluble intermediates and the dissolution and precipitation of solids, however, present a major challenge to understanding Li/S electrochemistry. We present the first model of the Li/S cell based on a fully elementary reaction mechanism, building on the work of Kumaresan et al. [2]. A detailed model of the evolution of solid phases as well as multi-component (Li+, PF6–, S8, S82−, S62−, S42−, S22−, S2−) mass and charge transport are included, allowing for the simulation of discharge and charge curves, electro- chemical impedance spectra [3], and concentration profiles. The results confirm that the discharge behavior of the Li/S cell is governed by the presence of solid reactant and product phases in exchange with the dis- solved sulfur poly-anions. The first and second discharge stages are characterized by the presence of solid S8 and Li2S, respectively, while the inter- mediate dip corresponds to a situation where all chemical compounds are dissolved in the electrolyte. Simulated electrochemical impedance spectra are used to validate the model against experimental data. References [1] B. Scrosati, J. Garche, J. Power Sources, 195 (2010), 2419–2430. [2] K. Kumaresan, Y. Mikhaylik and R.E. White, J. Electrochem. Soc., 155 (2008), A576–A582 [3] W.G. Bessler, J. Electrochem. Soc. 154, B1186–B1191 (2007).

Item URL in elib:https://elib.dlr.de/76183/
Document Type:Conference or Workshop Item (Poster)
Title:Insight Into Li/S Batteries: Elementary Kinetic Modeling and Impedance Simulation
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Fronczek, David Normandavid.fronczek (at) dlr.deUNSPECIFIED
Bessler, Wolfgang Georgwolfgang.bessler (at) dlr.deUNSPECIFIED
Date:18 June 2012
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Series Name:International Meeting on Lithium Batteries
Keywords:Modellierung; modeling; lithium-sulfur battery; Lithium-Schwefel Batterie; DENIS
Event Title:16th International Meeting on Lithium Batteries
Event Location:ICC Jeju, South Korea
Event Type:international Conference
Event Dates:17-22 Jun 2012
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion (old)
HGF - Program Themes:E EV - Energy process technology (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 > Electrochemical Energy Technology
Deposited By: Fronczek, David N.
Deposited On:17 Jul 2012 09:32
Last Modified:31 Jul 2019 19:36

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