Understanding the Li diffusion mechanism and positive effect of current collector volume expansion in anode free batteries

doi:10.1088/1674-1056/ab943c

Abstract

In anode free batteries (AFBs), the current collector acts as anode simultaneously and has large volume expansion which is generally considered as a negative effect decreasing the structural stability of a battery. Moreover, despite many studies on the fast lithium diffusion in the current collector materials of AFB such as copper and aluminum, the involved Li diffusion mechanism in these materials remains poorly understood. Through first-principles calculation and stress-assisted diffusion equations, here we study the Li diffusion mechanism in several current collectors and related alloys and clarify the effect of volume expansion on Li diffusion respectively. It is suggested that due to the lower Li migration barriers in aluminum and tin, they should be more suitable to be used as AFB anodes, compared to copper, silver, and lead. The Li diffusion facilitation in copper with a certain number of vacancies is proposed to explain why the use of copper with a thickness ≤ 100 nm as the protective coating on the anode improves the lifetime of the batteries. We show that the volume expansion has a positive effect on Li diffusion via mechanical-electrochemical coupling. Namely, the volume expansion caused by Li diffusion will further induce stress which in turn affects the diffusion. These findings not only provide in-depth insight into the operating principle of AFBs, but also open a new route toward design of improved anode through utilizing the positive effect of mechanical-electrochemical coupling.

Keywords: anode free battery current collector Li diffusion mechanism mechanical-electrochemical coupling stress-assisted diffusion

Received: 09 March 2020
Revised: 16 May 2020
Accepted manuscript online:

PACS:	82.47.Aa	(Lithium-ion batteries)
	66.30.-h	(Diffusion in solids)
	81.40.Jj	(Elasticity and anelasticity, stress-strain relations)
	47.11.St	(Multi-scale methods)

Fund:

Project supported by the National Natural Science Foundation of China (Grant Nos. 11874254, 51802187, and 51622207), Shanghai Sailing Program, China (Grant No. 18YF1408700), Shanghai Pujiang Program, China (Grant No. 2019PJD016), Open Project of the State Key Laboratory of Advanced Special Steel, Shanghai University, China (Grant No. SKLASS2018-01), the Project of the State Key Laboratory of Advanced Special Steel, Shanghai University, China (Grant No. SKLASS2019-Z023), and the Science and Technology Commission of Shanghai Municipality, China (Grant No. 19DZ2270200).

Corresponding Authors: Siqi Shi
E-mail: sqshi@shu.edu.cn

Cite this article:

Yan Zhuang(庄严), Zheyi Zou(邹喆乂), Bo Lu(吕浡), Yajie Li(李亚捷), Da Wang(王达), Maxim Avdeev, Siqi Shi(施思齐) Understanding the Li diffusion mechanism and positive effect of current collector volume expansion in anode free batteries 2020 Chin. Phys. B 29 068202

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Understanding the Li diffusion mechanism and positive effect of current collector volume expansion in anode free batteries

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