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Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective

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Open access
Authors
Zhang, P.
Ma, Z.
Jiang, W.
Wang, Y.
Pan, Y.
Lu, Chunsheng
Date
2016
Type
Journal Article

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Zhang, P. and Ma, Z. and Jiang, W. and Wang, Y. and Pan, Y. and Lu, C. 2016. Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective. AIP Advances. 6 (1): 015107.
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AIP Advances
DOI
School
Department of Mechanical Engineering
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This open access article is distributed under the Creative Commons license http://creativecommons.org/licenses/by/3.0/

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Abstract

© 2016 Author(s). Fracture and pulverization induced by large stress during charging and discharging may lead to the loss of electrical contact and capacity fading in Sn anode materials. A good understanding of mechanical properties is necessary for their optimal design under different lithiation states. On the basis of first-principles calculations, we investigate the stress-strain relationships of Li-Sn alloys under tension. The results show that the ideal tensile strengths of Li-Sn alloys vary as a function of Li concentration, and with the increase of Li+ concentration, the lowest tensile strength decreases from 4.51 GPa (Sn) to 1.27 GPa (Li7Sn2). This implies that lithiation weakens the fracture resistance of Li-Sn alloys.