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A new continuum model of Metal-Sulfurized Polyacrylonitrile (SPAN) batteries

Wang, Peiwen und Buchmeiser, Michael, R. und Danner, Timo und Latz, Arnulf und Simanjuntak, Esther Kezia (2022) A new continuum model of Metal-Sulfurized Polyacrylonitrile (SPAN) batteries. 18th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies, 14.-16. März 2022, Hohenkammer, Deutschland.

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Kurzfassung

Metal-sulfur (Me-S) batteries present a promising class of next-generation batteries with very high theoretical capacity. In recent years, magnesium (Mg) was proposed as anode material for Me-S bat-teries due to negligible dendrite formation and high volumetric capacity (3837 mAh/cm3) [1]. This ca-pacity is even higher than in Li-based systems (2062 mAh/cm3), which is very attractive for portable applications. However, similarly to Li-S batteries, Mg-S batteries show a low coulombic efficiency and fast self-discharge due to the polysulfide shuttle. In order to reduce the polysulfide shuttle, several mitigation strategies have been developed for Li-S batteries and some of these concepts have been also transferred to Mg-S batteries [2]. One promising approach is to covalently bind the sulfur to a polymer backbone. Long cycle life and high specific capacities have been demonstrated for sulfurated poly(acrylonitrile) (“SPAN”) cathodes in lithium-based batteries and, more recently, the proof-of-concept was also demonstrated for Mg-SPAN batteries [3,4]. In our contribution we present a novel continuum model for SPAN electrodes and demonstrate its application to Li-SPAN and Mg-SPAN batteries. Within our simulation framework [5] we are able to include both red/ox reactions of sulfur covalently bound to the polymeric backbone of SPAN and transport as well as electrochemical reactions of the polysulfides in solution. Additionally, we model side reactions on the negative electrode and precipitation of the solid discharge products. By com-paring our simulation results to experimental data, such as the cell voltage during galvanostatic cy-cling, we are able to identify qualitative differences between the Li- and Mg-based systems. The simulations provide insights on limiting factors for battery performance, which is the basis to guide new developments for Me-SPAN batteries.

elib-URL des Eintrags:https://elib.dlr.de/191426/
Dokumentart:Konferenzbeitrag (Poster)
Titel:A new continuum model of Metal-Sulfurized Polyacrylonitrile (SPAN) batteries
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Wang, PeiwenInstitute of Polymer Chemistry, University of StuttgartNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Buchmeiser, Michael, R.michael.buchmeiser (at) ipoc.uni-stuttgart.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059NICHT SPEZIFIZIERT
Latz, ArnulfArnulf.Latz (at) dlr.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Simanjuntak, Esther KeziaEsther.Simanjuntak (at) dlr.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Datum:2022
Referierte Publikation:Ja
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:Continuum modelling, kinetics, rechargeable metal-sulfurized polyacrylonitrile (SPAN) bat-teries
Veranstaltungstitel:18th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies
Veranstaltungsort:Hohenkammer, Deutschland
Veranstaltungsart:internationale Konferenz
Veranstaltungsdatum:14.-16. März 2022
HGF - Forschungsbereich:Energie
HGF - Programm:Materialien und Technologien für die Energiewende
HGF - Programmthema:Elektrochemische Energiespeicherung
DLR - Schwerpunkt:Energie
DLR - Forschungsgebiet:E SP - Energiespeicher
DLR - Teilgebiet (Projekt, Vorhaben):E - Elektrochemische Speicher
Standort: Ulm
Institute & Einrichtungen:Institut für Technische Thermodynamik > Computergestützte Elektrochemie
Hinterlegt von: Simanjuntak, Esther Kezia
Hinterlegt am:12 Dez 2022 18:57
Letzte Änderung:12 Dez 2022 18:57

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