Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective
Source abstract
Abstract
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.
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Research context
OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · MXene and MAX Phase Materials
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Affiliations
Xiangtan University 1 National–Provincial Laboratory of Special Function Thin Film Materials, and School of Materials Science and Engineering, , Xiangtan 411105, Hunan, China
Hunan University of Science and Technology 2 School of Information and Electronic Engineering, , Xiangtan 411201, Hunan, China
Curtin University 3 Department of Mechanical Engineering, , Perth, Western Australia 6845, Australia
Funding
National Natural Science Foundation of China
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