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Modeling of the electrochemical double layer and its impact on intercalation reactions

Lück, Jessica and Latz, Arnulf (2018) Modeling of the electrochemical double layer and its impact on intercalation reactions. Physical Chemistry Chemical Physics. Royal Society of Chemistry. doi: 10.1039/C8CP05113E. ISSN 1463-9076.

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We deduce a generic interface theory to describe charge and electron transfer reactions at electrified interfaces based on fundamental principles. Considering the contact between a solid electrode and a liquid electrolyte, the model allows the consistent determination of emerging electric fields and space charge layers at the interface. The interaction between charge transport and the electrochemical double layer at the boundary between the electrode and electrolyte is investigated. Time scales of interfacial reaction and transport processes are analyzed. Further, we present a reduced bulk model of the electrochemical interface, which allows us to incorporate properties of the electrochemical double layer as extended boundary conditions in transport models of lithium-ion batteries. Numerically less intensive, the reduced model builds a bridge between our detailed description of reactions at electrified interfaces and commonly used modeling approaches for electrode reactions. With both the full and the reduced model, we simulate the impedance response of an electrochemical cell.

Item URL in elib:https://elib.dlr.de/122874/
Document Type:Article
Title:Modeling of the electrochemical double layer and its impact on intercalation reactions
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Lück, JessicaJessica.Lueck (at) dlr.deUNSPECIFIED
Latz, ArnulfArnulf.Latz (at) dlr.deUNSPECIFIED
Date:18 October 2018
Journal or Publication Title:Physical Chemistry Chemical Physics
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1039/C8CP05113E
Publisher:Royal Society of Chemistry
Keywords:battery; Adsorption; Interface; reactions; eletrochemical double layer
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: Lück, Jessica
Deposited On:20 Dec 2018 11:16
Last Modified:13 May 2022 13:29

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