3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode

doi:10.3724/SP.J.1077.2013.13119

GIEC OpenIR > 中国科学院广州能源研究所

	3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode
	Wu Wei 1; Jiang Fang-Ming 1; Chen Zhi 2; Wang Ying2 ; Zhao Feng-Gang 2; Zeng Yu-Qun 2
	2013-11-01
发表期刊	JOURNAL OF INORGANIC MATERIALS
卷号	28 期号:11 页码:1243-1247
摘要	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.
文章类型	Article
关键词	Pore-scale Model Microstructure Reconstruction Monte Carlo Tortuosity Effective Physical Properties Lattice Boltzmann Method
WOS标题词	Science & Technology ; Technology
DOI	10.3724/SP.J.1077.2013.13119
研究领域[WOS]	Materials Science
关键词[WOS]	EFFECTIVE THERMAL-CONDUCTIVITY ; EFFECTIVE TRANSPORT-PROPERTIES ; BOUNDARY-CONDITIONS ; POROUS-MEDIA
收录类别	SCI
语种	英语
WOS类目	Materials Science, Ceramics
WOS记录号	WOS:000327420100015
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.giec.ac.cn/handle/344007/10051
专题	中国科学院广州能源研究所
作者单位	1.Chinese Acad Sci, Lab Adv Energy Syst, CAS Key Lab Renewable Energy & Gas Hydrate, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China 2.Amperex Technolgy Ltd Dongguan, Dongguan 523808, Peoples R China
推荐引用方式 GB/T 7714	Wu Wei,Jiang Fang-Ming,Chen Zhi,et al. 3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode[J]. JOURNAL OF INORGANIC MATERIALS,2013,28(11):1243-1247.
APA	Wu Wei,Jiang Fang-Ming,Chen Zhi,Wang Ying,Zhao Feng-Gang,&Zeng Yu-Qun.(2013).3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode.JOURNAL OF INORGANIC MATERIALS,28(11),1243-1247.
MLA	Wu Wei,et al."3D Monte Carlo Reconstruction and Characterization of LiCoO2 Cathode".JOURNAL OF INORGANIC MATERIALS 28.11(2013):1243-1247.