Journal Article

PUBDB-2022-07440

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Lithium ion battery electrode manufacturing model accounting for 3D realistic shapes of active material particles

Xu, J. (Corresponding author) ; Ngandjong, A. C. ; Liu, C. ; Zanotto, F. M. ; Arcelus, O. ; Demortière, A. ; Franco, A. A. (Corresponding author)

2023
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.jpowsour.2022.232294  doi:10.3204/PUBDB-2022-07440

Abstract: The demand for lithium ion batteries (LIBs) in the market has gradually risen, with production increasing and expected to be boosted through the massive emergence of gigafactories. To meet industrial needs, the development of digital twins designed to accelerate the optimization of LIB manufacturing processes is essential. We report here a new three-dimensional physics-based modeling workflow able to predict the influence of manufacturing parameters on the electrode microstructure. This novel modeling workflow accounts for real active material particle shapes obtained from X-ray micro-computed tomography, upgrading our previous models where the particles were considered to be spherical. The modeling workflow is supported on Coarse-Grained Molecular Dynamics simulating the slurry, its drying and the calendering of the electrode resulting from the drying simulation. This model enables to link the manufacturing parameters with the real microstructure of the electrodes and to better observe the effect of the former on the heterogeneity of the electrodes. By using as user case electrodes containing LiNi$_{0.33}$Co$_{0.33}$Mn$_{0.33}$O$_2$ as active material, the simulations allow us, among others, to observe the alteration of the electrode heterogeneity during the manufacturing process and the deformation of the secondary particles of active material.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. Helmholtz-Zentrum Hereon (Hereon)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P05 (PETRA III)

Appears in the scientific report 2023

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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