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Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance

Drews, Janina and Danner, Timo and Jankowski, Piotr and Vegge, Tejs and Lastra, Juan Maria and Liu, Runyu and Zhao-Karger, Zhirong and Fichtner, Maximilian and Latz, Arnulf (2020) Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance. ChemSusChem, 13, pp. 3599-3604. Wiley. doi: 10.1002/cssc.202001034. ISSN 1864-5631.

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Official URL: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cssc.202001034


The choice of electrolyte has a crucial influence on the performance of rechargeable magnesium batteries. In multivalent electrolytes an agglomeration of ions to pairs or bigger clusters may affect the transport in the electrolyte and the reaction at the electrodes. In this work the formation of clusters is included in a general model for magnesium batteries. In this model, the effect of cluster formation on transport, thermodynamics and kinetics is consistently taken into account. The model is used to analyze the effect of ion clustering in magnesium tetrakis(hexafluoroisopropyloxy)borate in dimethoxyethane as electrolyte. It becomes apparent that ion agglomeration is able to explain experimentally observed phenomena at high salt concentrations.

Item URL in elib:https://elib.dlr.de/135639/
Document Type:Article
Title:Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Drews, Janinajanina.drews (at) dlr.dehttps://orcid.org/0000-0002-9800-6421
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Jankowski, PiotrTechnical University of Denmark (DTU)https://orcid.org/0000-0003-0178-8955
Vegge, TejsTechnical University of Denmark (DTU)https://orcid.org/0000-0002-1484-0284
Lastra, Juan MariaTechnical University of Denmark (DTU)https://orcid.org/0000-0001-5311-3656
Liu, RunyuKarlsruhe Institute of Technology (KIT)UNSPECIFIED
Zhao-Karger, Zhirongzhirong.zhao-karger (at) kit.eduhttps://orcid.org/0000-0002-7233-9818
Fichtner, Maximilianm.fichtner (at) kit.eduhttps://orcid.org/0000-0002-7127-1823
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:28 May 2020
Journal or Publication Title:ChemSusChem
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1002/cssc.202001034
Page Range:pp. 3599-3604
Series Name:Energy Storage and Conversion Research at Science City Ulm
Keywords:batteries, computational chemistry, electrolytes, ion aggregation, magnesium
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: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Danner, Timo
Deposited On:14 Aug 2020 12:15
Last Modified:20 Jun 2021 15:53

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