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First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode

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Abstract

The equilibrium structures, formation energy, mechanical properties and electronic properties of Co-Sn intermetallics have been systemically studied by first-principles study. The results show that the CoSn phase is more thermodynamically stable than any other stoichiometry of Co-Sn intermetallics. With the increasing of Co content in Co-Sn intermetallics, the mechanical properties change into brittle behavior from ductility character. Adding proper amount of Co to Co-Sn intermetallics can improve the cycle performance for lithium ion battery anode. However, high Co content will lead to a poor cycle performance for Co-Sn intermetallics.

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Authors and Affiliations

  1. College of Material Science and Engineering, Liaoning Technical University, Fuxin, 123000, P. R. China

    Wei Dong, Ding Shen, Shaobin Yang, Xuelei Wang & Yue Liu

  2. Research Center of Coal Resources Safe Mining and Clean Utilization, Liaoning Technical University, Fuxin, 123000, P. R. China

    Wei Dong

  3. College of Mechanics and Engineering, Liaoning Technical University, Fuxin, 123000, P. R. China

    Wei Dong & Bing Liang

  4. College of Mining, Liaoning Technical University, Fuxin, 123000, P. R. China

    Sinan Li

Authors
  1. Wei Dong
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  2. Ding Shen
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  3. Shaobin Yang
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  4. Bing Liang
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  5. Xuelei Wang
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  6. Yue Liu
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  7. Sinan Li
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Corresponding authors

Correspondence to Ding Shen or Shaobin Yang.

Additional information

Supported by the National Natural Science Foundation of China(Nos.51274119, 51774175) and the Open Projects of Research Center of Coal Resources Safe Mining and Clean Utilization, Liaoning Province, China(No. LNTU16KF15).

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Dong, W., Shen, D., Yang, S. et al. First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode. Chem. Res. Chin. Univ. 34, 235–240 (2018). https://doi.org/10.1007/s40242-018-7340-x

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  • DOI: https://doi.org/10.1007/s40242-018-7340-x

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