First-principles Study of Mechanical and Electronic Properties of Co-Sn Intermetallics for Lithium Ion Battery Anode
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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.
KeywordsCo-Sn intermetallic Mechanical property Electronic property First-principle Lithium ion battery
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- Simmons G., Wang H. B., Single Crystal Elastic Constants & Cal-culated Aggregate Properties, 1971, 34Google Scholar
- Liu M, Liu L. G., High Temperatures-High Pressures, 1986, 18, 79Google Scholar
- Max B., Kun H., Dynamical Theory of Crystal Lattices, Clarendon, Oxford, 1956, 132Google Scholar
- Wang X. L., Feygenson M., Chen H., Lin C. H., Ku W., Bai J., Han W. Q., J. Am. Chem. Soc., 2011, 133(29), 1121Google Scholar