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Modeling SEI Formation and Morphology

Single, Fabian und Schmitt, Tobias und Latz, Arnulf und Horstmann, Birger (2016) Modeling SEI Formation and Morphology. 57th Annual Meeting of the International Society of Electrochemistry, 21.-26. Aug. 2016, Den Haag, Niederlande.

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Kurzfassung

When a lithium ion battery is fully charged, the potential of its negative electrode is outside the stability window of the electrolyte, typically a mixture of organic solvents (ethylene carbonate, dimethyl carbonate) with a lithium salt. Consequently solvent molecules are reduced at the anode surface and reduction products form a film thus passivating the electrode. This so called solid electrolyte interphase (SEI) slows down the reduction process to acceptable levels and is crucial for stable battery performance. Experiments indicate that the SEI has dual layer morphology [1], i.e. it consists of a dense inner layer (close to the electrode) and a porous outer layer (close to the electrolyte). So far, most theoretical studies describing SEI evolution homogenize the SEI structure, focusing solely on the layer growth [2,3,4]. We present a one dimensional model for porous SEI formation that additionally captures morphology properties of the SEI film. In our simulation the evolution of the SEI density and composition is traced along the axis perpendicular to the electrode surface. Solvent reductions reactions are “fueled” by electrons conducted through the solid SEI phase and solvent molecules which move within the pores of the porous structure via diffusion/convection (depicted in the figure below). We can show – via simulation and theory – that these assumptions lead to the formation of a porous structure with constant, nonzero porosity. Additionally our model predicts the formation of dual layer morphology in a solvent mixture with two or more active species. References [1] P. Lu and S. J. Harris, Lithium transport within the solid electrolyte interphase, Electrochemistry Communications 13, 1035 (2011) [2] M. B. Pinson and M. Z. Bazant, Theory of SEI Formation in Rechargeable Batteries: Capacity Fade, Accelerated Aging and Lifetime Prediction, Journal of the Electrochemical Society 160, A243 (2012) [3] D. Li, D. Danilov, Z. Zhang, H. Chen, Y. Yang, and P. H. L. Notten, Modeling the SEI-Formation on Graphite Electrodes in LiFePO4 Batteries, Journal of the Electrochemical Society 162, A858 (2015) [4] J. Christensen and J. Newman, A Mathematical Model for the Lithium-Ion Negative Electrode Solid Electrolyte Interphase, Journal of The Electrochemical Society 151, A1977 (2004)

elib-URL des Eintrags:https://elib.dlr.de/109090/
Dokumentart:Konferenzbeitrag (Poster)
Titel:Modeling SEI Formation and Morphology
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Single, Fabianfabian.single (at) dlr.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Schmitt, Tobiastobias.schmitt (at) dlr.dehttps://orcid.org/0000-0003-4240-679XNICHT SPEZIFIZIERT
Latz, Arnulfarnulf.latz (at) dlr.deNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Horstmann, Birgerbirger.horstmann (at) dlr.dehttps://orcid.org/0000-0002-1500-0578NICHT SPEZIFIZIERT
Datum:21 August 2016
Referierte Publikation:Ja
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:lithium-ion, battery, SEI, degradation
Veranstaltungstitel:57th Annual Meeting of the International Society of Electrochemistry
Veranstaltungsort:Den Haag, Niederlande
Veranstaltungsart:internationale Konferenz
Veranstaltungsdatum:21.-26. Aug. 2016
Veranstalter :International Society of Electrochemistry
HGF - Forschungsbereich:Energie
HGF - Programm:Speicher und vernetzte Infrastrukturen
HGF - Programmthema:Elektrochemische Energiespeicher
DLR - Schwerpunkt:Energie
DLR - Forschungsgebiet:E EV - Energieverfahrenstechnik
DLR - Teilgebiet (Projekt, Vorhaben):E - Elektrochemische Prozesse (Batterien) (alt)
Standort: Stuttgart
Institute & Einrichtungen:Institut für Technische Thermodynamik > Computergestützte Elektrochemie
Hinterlegt von: Single, Fabian
Hinterlegt am:07 Dez 2016 10:03
Letzte Änderung:31 Jul 2019 20:06

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