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Modeling Solid Electrolyte Interphase Formation and Morphology

Single, Fabian and Horstmann, Birger and Latz, Arnulf and Schmitt, Tobias (2016) Modeling Solid Electrolyte Interphase Formation and Morphology. 2nd Scientific SCI Meeting, 10.-11. Nov. 2016, Berlin, Deutschland.

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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)

Item URL in elib:https://elib.dlr.de/109095/
Document Type:Conference or Workshop Item (Poster)
Title:Modeling Solid Electrolyte Interphase Formation and Morphology
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Single, Fabianfabian.single (at) dlr.deUNSPECIFIED
Horstmann, Birgerbirger.horstmann (at) dlr.deUNSPECIFIED
Latz, Arnulfarnulf.latz (at) dlr.deUNSPECIFIED
Schmitt, Tobiastobias.schmitt (at) dlr.deUNSPECIFIED
Date:10 November 2016
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Keywords:SEI, graphite, Degradation, lithium-ion, battery
Event Title:2nd Scientific SCI Meeting
Event Location:Berlin, Deutschland
Event Type:Workshop
Event Dates:10.-11. Nov. 2016
Organizer:Helmholtz Gesellschaft
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E EV - Energy process technology
DLR - Research theme (Project):E - Electrochemical Processes (Batteries) (old)
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Single, Fabian
Deposited On:07 Dec 2016 11:08
Last Modified:31 Jul 2019 20:06

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