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Insights into Self-Discharge of Lithium– and Magnesium–Sulfur Batteries

Richter, Raphael and Häcker, Joachim and Zhao-Karger, Zhirong and Danner, Timo and Wagner, Norbert and Fichtner, Maximilian and Friedrich, Kaspar Andreas and Latz, Arnulf (2020) Insights into Self-Discharge of Lithium– and Magnesium–Sulfur Batteries. ACS Applied Energy Materials, 3 (9), pp. 8457-8474. American Chemical Society (ACS). doi: 10.1021/acsaem.0c01114. ISSN 2574-0962.

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Official URL: https://pubs.acs.org/doi/abs/10.1021/acsaem.0c01114


Magnesium–sulfur (Mg–S) batteries represent a very promising emerging cell chemistry. However, developments in Mg–S batteries are in an early stage, and the system exhibits problems similar to those of early lithium–sulfur (Li–S) batteries. The significant challenges are the low Coulombic efficiency and short cycle life of Mg–S batteries, mainly associated with the well-known polysulfide shuttle. An obvious result of this phenomenon is the rapid self-discharge of Mg–S batteries. In this article, we present a multiscale simulation framework for metal–sulfur batteries. In our approach, we provide a continuum description of chemical and electrochemical processes at the positive and negative electrodes. In combination with a one-dimensional (1D) model for the transport of dissolved species in the electrolyte, this approach allows us to reproduce and interpret experimental data measured on Li–S and Mg–S batteries. We focus on the common properties of Li–S and Mg–S batteries as well as on the key differences causing the much more rapid self-discharge of the Mg system. We identify side reactions on the anode surface as a limiting process, while other factors, such as the mobility of dissolved species and solid-phase kinetics, play a minor role.

Item URL in elib:https://elib.dlr.de/139590/
Document Type:Article
Title:Insights into Self-Discharge of Lithium– and Magnesium–Sulfur Batteries
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Richter, RaphaelRaphael.Richter (at) dlr.deUNSPECIFIED
Häcker, JoachimJoachim.Haecker (at) dlr.dehttps://orcid.org/0000-0003-2031-9898
Zhao-Karger, Zhirongzhirong.zhao-karger (at) kit.eduhttps://orcid.org/0000-0002-7233-9818
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Wagner, NorbertNorbert.Wagner (at) dlr.dehttps://orcid.org/0000-0002-2596-8689
Fichtner, Maximilianm.fichtner (at) kit.eduhttps://orcid.org/0000-0002-7127-1823
Friedrich, Kaspar AndreasAndreas.Friedrich (at) dlr.deUNSPECIFIED
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:14 August 2020
Journal or Publication Title:ACS Applied Energy Materials
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1021/acsaem.0c01114
Page Range:pp. 8457-8474
Publisher:American Chemical Society (ACS)
Keywords:lithium−sulfur battery magnesium−sulfur battery modeling meso-/microporous carbon self-discharge
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Prcesses (Batteries) (old)
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Danner, Timo
Deposited On:16 Dec 2020 21:06
Last Modified:01 Oct 2021 03:00

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