Chemical Research in Chinese Universities

, Volume 34, Issue 2, pp 235–240 | Cite as

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

  • Wei Dong
  • Ding Shen
  • Shaobin Yang
  • Bing Liang
  • Xuelei Wang
  • Yue Liu
  • Sinan Li


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.


Co-Sn intermetallic Mechanical property Electronic property First-principle Lithium ion battery 


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Copyright information

© Jilin University, The Editorial Department of Chemical Research in Chinese Universities and Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  1. 1.College of Material Science and EngineeringLiaoning Technical UniversityFuxinP. R. China
  2. 2.Research Center of Coal Resources Safe Mining and Clean UtilizationLiaoning Technical UniversityFuxinP. R. China
  3. 3.College of Mechanics and EngineeringLiaoning Technical UniversityFuxinP. R. China
  4. 4.College of MiningLiaoning Technical UniversityFuxinP. R. China

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