The Coupling of Strain and Lithium Diffusion: A Theoretical Model Based   on First-Principles Calculations

doi:10.1149/2.0341512jes

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	The Coupling of Strain and Lithium Diffusion: A Theoretical Model Based on First-Principles Calculations
	Hao, Feng ; Fang, Daining ; Chen, Xi
刊名	JOURNAL OF THE ELECTROCHEMICAL SOCIETY
	2015
关键词	ION BATTERIES SILICON NANOWIRES INDUCED STRESS ELECTRODE STRUCTURES 1ST PRINCIPLES LITHIATION DEGRADATION SIMULATION EVOLUTION FRACTURE
DOI	10.1149/2.0341512jes
英文摘要	Most electrodes undergo volume changes in lithium-ion batteries, and it turns out that the volume changes also significantly affect lithium diffusion kinetics based on first-principles calculations. To study the mechano-electro-chemical coupling, a theoretical model of spherical electrode has been developed and the effect of strain on diffusion coefficient is explicitly considered. The results show that strain-enhanced diffusion greatly alleviates diffusion-induced stresses, and the lithiation and delithiation are extremely asymmetric in lithium concentration distribution and stresses due to asymmetrical changes of diffusion coefficient with time and positions along the radial direction. (C) 2015 The Electrochemical Society.; National Natural Science Foundation of China [11172231, 11372241]; ARPA-E [DE-AR0000396]; AFOSR [FA9550-12-1-0159]; SCI(E); EI; ARTICLE; fangdn@pku.edu.cn; xichen@columbia.edu; 12; A2266-A2270; 162
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/420988]
专题	工学院
推荐引用方式 GB/T 7714	Hao, Feng,Fang, Daining,Chen, Xi. The Coupling of Strain and Lithium Diffusion: A Theoretical Model Based on First-Principles Calculations[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY,2015.
APA	Hao, Feng,Fang, Daining,&Chen, Xi.(2015).The Coupling of Strain and Lithium Diffusion: A Theoretical Model Based on First-Principles Calculations.JOURNAL OF THE ELECTROCHEMICAL SOCIETY.
MLA	Hao, Feng,et al."The Coupling of Strain and Lithium Diffusion: A Theoretical Model Based on First-Principles Calculations".JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2015).