3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode

doi:10.3724/SP.J.1077.2013.13119

Journal of Inorganic Materials ›› 2013, Vol. 28 ›› Issue (11): 1243-1247.DOI: 10.3724/SP.J.1077.2013.13119

• Research Paper • Previous Articles Next Articles

3D Monte Carlo Reconstruction and Characterization of LiCoO₂ Cathode

WU Wei¹, JIANG Fang-Ming¹, CHEN Zhi², WANG Ying², ZHAO Feng-Gang², ZENG Yu-Qun²

(1Laboratory of Advanced Energy Systems, CAS Key Laboratory of Renewable Energy and Gas Hydrate, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China; 2 Amperex Technolgy Limited-Dongguan, Dongguan 523808, China)

Received:2013-03-05 Revised:2013-04-25 Published:2013-11-20 Online:2013-10-18
About author:WU Wei. E-mail: wuwei1@ms.giec.ac.cn
Supported by:
One Hundred Talent Program of CAS

Abstract

Abstract: Reconstruction and characterization of the porous composite electrode via experimental and numerical approaches are the basis and prerequisite of pore-scale modeling. The Monte Carlo approach was employed to reconstruct the LiCoO₂ cathode of a Li-ion battery. The reconstructed electrode resolves sub-micrometer microstructure, thus evidently distinguishing the three individual phases: LiCoO₂ as active material, pores (electrolyte), and additives. An extensive characterization was subsequently performed to calculate some important structural parameters and transport properties, including the geometrical connectivity and the specific surface area, etc. Particularly, a self-developed D3Q15 LB (Lattice Boltzmann) model was used to calculate the effective thermal (or electric) conductivity and the effective species diffusivity in electrolyte (or solid) phase, and the tortuosity of an individual phase. The reconstructed 3D microstructure is consistent with the real cathode microstructure concerning several important statistical features including porosity, volume fraction of each phase, and two-point correlation functions etc. LB model predictions indicate that the effective transport coefficients are closely related to the micro-morphology in electrodes.

Key words: pore-scale model, microstructure reconstruction, Monte Carlo, tortuosity, effective physical properties, lattice Boltzmann method

CLC Number:

TQ174

WU Wei, JIANG Fang-Ming, CHEN Zhi, WANG Ying, ZHAO Feng-Gang, ZENG Yu-Qun. 3D Monte Carlo Reconstruction and Characterization of LiCoO₂ Cathode[J]. Journal of Inorganic Materials, 2013, 28(11): 1243-1247.

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3D Monte Carlo Reconstruction and Characterization of LiCoO₂ Cathode

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