Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective
© 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 st...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
2016
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| Online Access: | http://hdl.handle.net/20.500.11937/20152 |
| _version_ | 1848750228008599552 |
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| author | Zhang, P. Ma, Z. Jiang, W. Wang, Y. Pan, Y. Lu, Chunsheng |
| author_facet | Zhang, P. Ma, Z. Jiang, W. Wang, Y. Pan, Y. Lu, Chunsheng |
| author_sort | Zhang, P. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | © 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. |
| first_indexed | 2025-11-14T07:33:29Z |
| format | Journal Article |
| id | curtin-20.500.11937-20152 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:33:29Z |
| publishDate | 2016 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-201522017-09-13T13:50:23Z Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective Zhang, P. Ma, Z. Jiang, W. Wang, Y. Pan, Y. Lu, Chunsheng © 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. 2016 Journal Article http://hdl.handle.net/20.500.11937/20152 10.1063/1.4940131 fulltext |
| spellingShingle | Zhang, P. Ma, Z. Jiang, W. Wang, Y. Pan, Y. Lu, Chunsheng Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective |
| 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://hdl.handle.net/20.500.11937/20152 |