Citation: WU Wei, JIANG Fang-Ming, ZENG Jian-Bang. Reconstruction of LiCoO₂ Cathode Microstructure and Prediction of Effective Transport Coefficients[J]. Acta Physico-Chimica Sinica, ;2013, 29(11): 2361-2370. doi: 10.3866/PKU.WHXB201309032 shu

Reconstruction of LiCoO₂ Cathode Microstructure and Prediction of Effective Transport Coefficients

1.
1 Laboratory of Advanced Energy Systems, CAS Key Laboratory of Renewable Energy, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, P. R. China;
2 University of Chinese Academy of Sciences, Beijing 100049, P. R. China

Received Date: 28 June 2013
Available Online: 3 September 2013
Fund Project: 国家自然科学基金(51206171) (51206171)

Understanding the impact of microstructure of lithium-ion battery electrodes on performance is important for the development of relevant technologies. In the present work, the Monte Carlo Ising model was extended for the reconstruction of three-dimensional (3D) microstructure of a LiCoO₂ lithium-ion battery cathode. The electrode is reconstructed with a resolution on the scale of 50 nanometers, which allows three individual phases to be evidently distinguished: LiCoO₂ particles as the active material, pores or electrolyte and additives (polyvinylidene fluoride (PVDF) + carbon black). Characterization of the reconstructed cathode reveals some important structural and transport properties, including the geometrical connectivity and tortuosity of specific phases, the spatial distribution and volume fractions of specific phases, the specific surface area, and the pore size distribution. A D3Q15 lattice Boltzmann model (LBM) was developed and used to calculate the effective thermal conductivity and the effective transport coefficient of the electrolyte (or solid) phase. It is found that tortuosity values determined by LBMare more reliable than those predicted by the random walk simulation or the Bruggeman equation.
- Pore-scale modeling to lithium-ion battery,
- Microstructure reconstruction,
- Monte Carlo approach,
- Characterization,
- Tortuosity,
- Effective transport coefficient,
- Lattice Boltzmann method,
- Random walk method
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Reconstruction of LiCoO₂ Cathode Microstructure and Prediction of Effective Transport Coefficients