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dc.contributor.authorZhang, P.
dc.contributor.authorMa, Z.
dc.contributor.authorWang, Y.
dc.contributor.authorZou, Y.
dc.contributor.authorLei, W.
dc.contributor.authorPan, Y.
dc.contributor.authorLu, Chunsheng
dc.date.accessioned2017-01-30T15:27:22Z
dc.date.available2017-01-30T15:27:22Z
dc.date.created2015-07-16T06:22:02Z
dc.date.issued2015
dc.identifier.citationZhang, P. and Ma, Z. and Wang, Y. and Zou, Y. and Lei, W. and Pan, Y. and Lu, C. 2015. A first principles study of the mechanical properties of Li-Sn alloys. RSC Advances. 5 (45): pp. 36022-36029.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/46444
dc.identifier.doi10.1039/c5ra04685h
dc.description.abstract

To obtain a better understanding of the failure mechanism of lithium ion batteries during charging–discharging, we have systematically studied the mechanical properties of Li–Sn alloys based on density functional theory, including elastic constants such as the orientation-averaged bulk, shear and Young's moduli and Poisson's ratios, as well as the anisotropy and brittleness-ductility. It is shown that bulk, shear and Young's moduli of isotropic LixSn alloys decrease almost linearly with the increase of Li concentration. Further, based on the analysis of shear to bulk modulus and Poisson's ratios, it is inferred that Li–Sn alloys are brittle. The poor cycle performance and crushing failure of Sn anode materials during charging and discharging are mainly due to a transition of electrode material properties from ductile to brittle.

dc.publisherRoyal Society of Chemistry
dc.titleA first principles study of the mechanical properties of Li-Sn alloys
dc.typeJournal Article
dcterms.source.volume5
dcterms.source.number45
dcterms.source.startPage36022
dcterms.source.endPage36029
dcterms.source.issn2046-2069
dcterms.source.titleRSC Advances
curtin.departmentDepartment of Mechanical Engineering
curtin.accessStatusFulltext not available


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