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Model Based Multiscale Analysis of Film Formation in Lithium‐Ion Batteries

Title data

Röder, Fridolin ; Laue, Vincent ; Krewer, Ulrike:
Model Based Multiscale Analysis of Film Formation in Lithium‐Ion Batteries.
In: Batteries & Supercaps. Vol. 2 (2019) Issue 3 . - pp. 248-265.
ISSN 2566-6223
DOI: https://doi.org/10.1002/batt.201800107

Abstract in another language

Evidence for multiscale interaction of processes during surface film growth is provided using a multiscale modeling approach. The model directly couples a continuum pseudo two dimensional (P2D) battery model and a heterogeneous surface film growth model based on the kinetic Monte Carlo (kMC) method. Key parameters have been identified at basic electrochemical experiments, i. e., open circuit potential (OCP), C‐rate tests, and potential during filmformation. Simulations are in very good agreement with these experiments. Simulation results are shown for various formation procedures, i. e., for different applied C‐rates. Interaction between macroscopic transport processes on electrode scale and elementary reaction steps on atomistic scale are observed. Results reveal a distinct impact of the applied procedures on the atomistic structure of surface films. It can be seen that locally heterogeneous films are formed with very slow charging rate due to stochasticity of the growth process, while spatially heterogeneous films are formed with very fast charging rate due to the spatial heterogeneous distribution of concentration and potential. Therefore, the author's emphasize that in order to identify charging protocols for optimal film morphology multiscale interactions should be considered.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science
Faculties
Faculties > Faculty of Engineering Science > Junior Professor Methods of Monitoring and Managing Batteries > Junior Professor Methods of Monitoring and Managing Batteries - Juniorprof. Dr.-Ing. Fridolin Röder
Faculties > Faculty of Engineering Science > Junior Professor Methods of Monitoring and Managing Batteries
Result of work at the UBT: No
DDC Subjects: 600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 20 Nov 2020 07:29
Last Modified: 27 Nov 2020 07:34
URI: https://eref.uni-bayreuth.de/id/eprint/59649