Towards a 3D-resolved model of Si/Graphite composite electrodes from manufacturing simulations

JOURNAL OF POWER SOURCES

卷:512

Article

Liu, Chaoyue^1,2  Arcelus, Oier^1,2  Lombardo, Teo^1,2  Oularbi, Hassan^1,2  Franco, Alejandro A.^1,2,3,4 

[1] Univ Picardie Jules Verne, UMR CNRS 7314, Lab React & Chim Solides LRCS, 15 Rue Baudelocque, F-80039 Amiens, France

[2] Fed Rech CNRS 3459, Reseau Stockage Electrochim Energie RS2E, 15 Rue Baudelocque, F-80039 Amiens, France

[3] ALISTORE European Res Inst, Fed Rech CNRS 3104, 15 Rue Baudelocque, F-80039 Amiens, France

[4] Inst Univ France, 103 Blvd St Michel, F-75005 Paris, France

关键词: Lithium ion batteries;    Coarse-grained molecular dynamics;    Electrode mesostructure;    Electrochemistry;    Mechanics;    Composite electrodes;   

DOI  :  10.1016/j.jpowsour.2021.230486

来源: Elsevier

【 摘 要 】

Composite graphite/silicon (Si) electrodes with low Si weight percentages are considered as a promising anode for next generation Li-ion batteries. In this context, understanding the mesostructural changes due to Si volume expansion and the complex electrochemical interplay between graphite and Si becomes crucial to unlock real-life applications of such composite electrodes. This work presents, for the first time, a three-dimensional (3D) physics-based model for graphite/Si composite electrodes, coupling electrochemistry and mechanics, using as input electrode mesostructures obtained from manufacturing-related Coarse-Grained Molecular Dynamics models. The slurry and dried electrode mesostructure are first generated by considering graphite and additives only, while the Si is included in an additional step. The model herein presented is a step further into obtaining a fundamental understanding of the complex processes happening in graphite/Si composite electrodes, paving the way towards their optimization.

【 授权许可】

Free