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A Novel Modeling Approach for Metal-SPAN Batteries

Simanjuntak, Esther Kezia and Danner, Timo and Wang, Peiwen and Buchmeiser, Michael R. and Latz, Arnulf (2021) A Novel Modeling Approach for Metal-SPAN Batteries. ISE Annual Meeting 2021, 29. Aug. - 3. Sept. 2021, Jeju, Südkorea.

[img] PDF - Only accessible within DLR
[img] PDF - Only accessible within DLR


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 batteries due to negligible dendrite formation and high volumetric capacity (3,837 mAh/cm3). This capacity is even higher than in Li-based systems (2,062 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. 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. In our contribution, we will present a novel continuum model for SPAN electrodes and demonstrate its application to Li-SPAN and Mg-SPAN batteries. Within our simulation framework 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. By comparing our simulation results to experimental data, we are able to identify qualitative differences in the sulfur reduction mechanism between the Li- and Mg-based systems. In collaboration with our experimental partners, we aim on providing more insights into the degradation mechanisms and limiting factors for battery performance, which are able to guide new developments for Me-SPAN batteries.

Item URL in elib:https://elib.dlr.de/147743/
Document Type:Conference or Workshop Item (Poster)
Title:A Novel Modeling Approach for Metal-SPAN Batteries
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Simanjuntak, Esther KeziaEsther.Simanjuntak (at) dlr.deUNSPECIFIED
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Wang, PeiwenInstitute of Polymer Chemistry, University of StuttgartUNSPECIFIED
Buchmeiser, Michael R.Institute of Polymer Chemistry, University of StuttgartUNSPECIFIED
Latz, ArnulfArnulf.Latz (at) dlr.deUNSPECIFIED
Refereed publication:No
Open Access:No
Gold Open Access:No
In ISI Web of Science:No
Keywords:continuum modeling, rechargeable manesium batteries, lithium sulfur batteries, SPAN cathode
Event Title:ISE Annual Meeting 2021
Event Location:Jeju, Südkorea
Event Type:international Conference
Event Dates:29. Aug. - 3. Sept. 2021
Organizer:International Society of Electrochemistry
HGF - Research field:Energy
HGF - Program:Materials and Technologies for the Energy Transition
HGF - Program Themes:Chemical Energy Carriers
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Processes, E - Electrochemical Storage
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Simanjuntak, Esther Kezia
Deposited On:23 Dec 2021 10:52
Last Modified:23 Dec 2021 10:52

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