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Effects of microstructural features on the performance of a commercial Ni-rich NMC cathode

Both, Svenja und Danner, Timo und Hein, Simon und Lindner, Adrian und Abdolhosseini, Saeed und Menesklou, Wolfgang und Krewer, Ulrike und Latz, Arnulf (2022) Effects of microstructural features on the performance of a commercial Ni-rich NMC cathode. Computational modelling of batteries: First-principles quantum chemistry meets continuum approaches, 2022-10-23 - 2022-10-26, Wissenschaftszentrum Schloss Reisensburg Günzburg.

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Kurzfassung

Li-ion batteries are widely used in consumer electronics due to their high energy density and currently gain further importance with regards to future mobility and their application in electric vehicles. In order to reduce production cost and thereby establish a competitive battery production, a further optimization of the cell components is required. Since extensive testing is time-consuming and expensive, predictive simulation tools are needed that are able to evaluate the electrode performance based on a given electrode structure. In this contribution, we will present 3D microstructure-resolved electrochemical continuum simulations conducted in the simulation framework BEST [1]. The governing equations are given by the mass and charge conservation in the active material and electrolyte. Discretization is done using a Finite Volume scheme which allows to directly use real tomographic data of the electrode microstructures as the simulation domain. Previous studies have shown the importance of microstructural simulations with regards to the battery operation [2,3] and contributed to a deeper insight into the observed electrode behavior [4]. In our work we analyze a commercial NMC811 cathode to reveal the influence of individual electrode features. The simulation domain is generated based on 3D-reconstructions of electrode samples generated by focused ion beam - scanning electron microscopy (FIB-SEM). The simulation results are then compared to experimental data in order to identify and isolate important design parameters. Here, the poor electronic conductivity of the electrode due to a low content of carbon-binder-domain (CBD) is identified to severely limit achievable cell capacity and increase the cell impedance. The developed method will also be used in order to identify critical microstructural parameters with regards to aging of NMC cathode materials in future work. [1] A. Latz and J. Zausch, “Thermodynamic consistent transport theory of Li-ion batteries”, J. Power Sources, 196, 3296-3302 (2011). [2] S. Hein et al.,“Influence of Conductive Additives and Binder on the Impedance of Lithium-Ion Battery Electrodes: Effect of Morphology”, J. Electrochem. Soc., 167, 013546 (2020). [3] T. Danner et al., “Thick electrodes for Li-ion batteries: A model based analysis”, J. Power Sources, 334, 191–201 (2016). [4] C. Hogrefe et al., “Mechanistic Details of the Spontaneous Intercalation of Li Metal into Graphite Electrodes”, J. Electrochem. Soc., 167, 140546 (2020)

elib-URL des Eintrags:https://elib.dlr.de/191255/
Dokumentart:Konferenzbeitrag (Poster)
Titel:Effects of microstructural features on the performance of a commercial Ni-rich NMC cathode
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Both, Svenjasvenja.both (at) dlr.dehttps://orcid.org/0009-0000-0748-304XNICHT SPEZIFIZIERT
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059NICHT SPEZIFIZIERT
Hein, SimonSimon.Hein (at) dlr.dehttps://orcid.org/0000-0002-6728-9983NICHT SPEZIFIZIERT
Lindner, Adrianadrian.lindner (at) kit.eduhttps://orcid.org/0000-0003-4903-3754NICHT SPEZIFIZIERT
Abdolhosseini, Saeedsaeed.abdolhosseini (at) kit.eduNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Menesklou, Wolfgangwolfgang.menesklou (at) kit.eduNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Krewer, Ulrikeulrike.krewer (at) kit.eduhttps://orcid.org/0000-0002-5984-5935NICHT SPEZIFIZIERT
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172NICHT SPEZIFIZIERT
Datum:2022
Referierte Publikation:Ja
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:Li-ion batteries, microstructure-resolved simulation, BEST
Veranstaltungstitel:Computational modelling of batteries: First-principles quantum chemistry meets continuum approaches
Veranstaltungsort:Wissenschaftszentrum Schloss Reisensburg Günzburg
Veranstaltungsart:Workshop
Veranstaltungsbeginn:23 Oktober 2022
Veranstaltungsende:26 Oktober 2022
HGF - Forschungsbereich:Energie
HGF - Programm:Materialien und Technologien für die Energiewende
HGF - Programmthema:Elektrochemische Energiespeicherung
DLR - Schwerpunkt:Energie
DLR - Forschungsgebiet:E SP - Energiespeicher
DLR - Teilgebiet (Projekt, Vorhaben):E - Elektrochemische Speicher
Standort: Ulm
Institute & Einrichtungen:Institut für Technische Thermodynamik > Computergestützte Elektrochemie
Hinterlegt von: Both, Svenja
Hinterlegt am:12 Dez 2022 18:53
Letzte Änderung:24 Apr 2024 20:52

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