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    Lithiation-induced interfacial failure of electrode-collector: A first-principles study

    Access Status
    Fulltext not available
    Authors
    Zhang, P.
    Ma, Z.
    Wang, Y.
    Zou, Y.
    Sun, L.
    Lu, Chunsheng
    Date
    2019
    Type
    Journal Article
    
    Metadata
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    Citation
    Zhang, P. and Ma, Z. and Wang, Y. and Zou, Y. and Sun, L. and Lu, C. 2019. Lithiation-induced interfacial failure of electrode-collector: A first-principles study. Materials Chemistry and Physics. 222: pp. 193-199.
    Source Title
    Materials Chemistry and Physics
    DOI
    10.1016/j.matchemphys.2018.10.018
    ISSN
    0254-0584
    School
    School of Civil and Mechanical Engineering (CME)
    URI
    http://hdl.handle.net/20.500.11937/71422
    Collection
    • Curtin Research Publications
    Abstract

    By using first-principles calculations, we investigate the interfacial failure between a lithiated Sn electrode and a Cu current collector for lithium-ion batteries. The results show that segregation of Li ions at the interfacial region leads to the transformation of interfacial bonding from Sn‒Cu to Li‒Cu bonds, and weak Li‒Sn bonds near the interface region. This leads to the weakened interfacial strength upon lithiation and failure of most lithiated Sn/Cu interfaces within LixSn slabs. In addition, the formation of CuxSn alloys at interface could increase the interface strength and enhance the deformation resistance of electrode materials, which explains why CuxSn containing composite electrodes exhibits the excellent electrochemical performance.

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