Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective
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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-01-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4940131 |
| _version_ | 1811321530103103488 |
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| author | Panpan Zhang Zengsheng Ma Wenjuan Jiang Yan Wang Yong Pan Chunsheng Lu |
| author_facet | Panpan Zhang Zengsheng Ma Wenjuan Jiang Yan Wang Yong Pan Chunsheng Lu |
| author_sort | Panpan Zhang |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-13T13:19:39Z |
| format | Article |
| id | doaj.art-49fe1c76c6014d6caec02440fdc522bd |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-04-13T13:19:39Z |
| publishDate | 2016-01-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-49fe1c76c6014d6caec02440fdc522bd2022-12-22T02:45:22ZengAIP Publishing LLCAIP Advances2158-32262016-01-0161015107015107-610.1063/1.4940131032601ADVMechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspectivePanpan Zhang0Zengsheng Ma1Wenjuan Jiang2Yan Wang3Yong Pan4Chunsheng Lu5National–Provincial Laboratory of Special Function Thin Film Materials, and School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, Hunan, ChinaNational–Provincial Laboratory of Special Function Thin Film Materials, and School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, Hunan, ChinaNational–Provincial Laboratory of Special Function Thin Film Materials, and School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, Hunan, ChinaSchool of Information and Electronic Engineering, Hunan University of Science and Technology, Xiangtan 411201, Hunan, ChinaNational–Provincial Laboratory of Special Function Thin Film Materials, and School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, Hunan, ChinaDepartment of Mechanical Engineering, Curtin University, Perth, Western Australia 6845, AustraliaFracture 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.http://dx.doi.org/10.1063/1.4940131 |
| spellingShingle | Panpan Zhang Zengsheng Ma Wenjuan Jiang Yan Wang Yong Pan Chunsheng Lu Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective AIP Advances |
| title | Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective |
| title_full | Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective |
| title_fullStr | Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective |
| title_full_unstemmed | Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective |
| title_short | Mechanical properties of Li–Sn alloys for Li-ion battery anodes: A first-principles perspective |
| title_sort | mechanical properties of li sn alloys for li ion battery anodes a first principles perspective |
| url | http://dx.doi.org/10.1063/1.4940131 |
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