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.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
Jiang A. N., Fan X., Zhu J., Ma D. Q., Xu X. H., Ionics, 2015, 21(8), 2137
Meng H. W., Yang H. Y., Yu X. H., Dou P., Ma D. Q., Xu X. H., RSC Advances, 2015, 5(116), 95488
Pang X. J., Tan C. H., Dai X. H., Wang X., Qi G. W., Zhang S. Y., J. Appl. Electrochem., 2015, 45(2), 115
Li J. T., Swiatowska J., Seyeux A., Huang L., Maurice V., Sun S. G., Marcus P., J. Power Sources, 2010, 195(24), 8251
Xiao S., Song H., Li A., Chen X. H., Zhou J. S., Ma Z. K., J. Mater. Chem. A, 2017, 5(12), 5873
Yui Y., Ono Y., Hayashi M., Nemoto Y., Hayashi K., Asakura K., Kitabayashi H., J. Electrochem. Soc., 2015, 162(2), A3098
Yui Y. H., Hayashi M., Hayashi K., Nakamura J., Solid State Ionics, 2016, 288, 219
Zhang F., Wang J. C., Liu S. H., Du Y., J. Power Sources, 2016, 330, 111
Sosa-Hernández E. M., Montejano-Carrizales J. M., Alvarado-Leyva P. G., J. Alloys Compounds, 2015, 632, 772
Clark S. J., Segall M. D., Pickard C. J., Hasnip P. J., Probert M. I., Refson K., Payne M. C., Zeitschrift für Kristallographie-Crystalline Materials, 2005, 220(5/6), 567
Vanderbilt D., Phys. Rev. B, 1990, 41(11), 7892
Perdew J. P., Burke K., Ernzerhof M., Phys. Rev. Lett., 1996, 77(18), 3865
Monkhorst H. J., Pack J. D., Phys. Rev. B, 1976, 13(12), 5188
Colinet C., Tedenac J. C., Fries S. G., Calphad, 2009, 33(1), 250
Chen J., Lai Y. S., Microelectronics Reliability, 2009, 49(3), 264
Voigt W., Annalen der Physik, 1889, 274(12), 573
Reuss A., Z. Angew. Math. Mech., 1929, 9, 49
Hill R., Proc. Phys. Soc.: Section A, 1952, 65(5), 349
Simmons G., Wang H. B., Single Crystal Elastic Constants & Cal-culated Aggregate Properties, 1971, 34
Ishida K., Nishizawa T., J. Phase Equilibria, 1991, 12(1), 88
Wang X. L., Chen H., Bai J., Han W. Q., J. Phys. Chem. Lett., 2012, 3(11), 1488
Liu M, Liu L. G., High Temperatures-High Pressures, 1986, 18, 79
Mortazavi M., Deng J. K., Shenoy V. B., Medhekar N. V., J. Power Sources, 2013, 225, 207
Sun W. M., Zhang L., Liu J., Wang H., Bu Y. X., Computational Ma-terials Science, 2016, 111, 175
Havinga E. E., J. Less Common Metals, 1972, 27(2), 187
Larsson A. K., Haeberlein M., Lidin S., Schwarz U., J. Alloy. Comp., 1996, 240(1/2), 79
Owen E. A., Madoc J. D., Proc. Phys. Soc. B, 1954, 67(6), 456
Max B., Kun H., Dynamical Theory of Crystal Lattices, Clarendon, Oxford, 1956, 132
Wang X. L., Feygenson M., Chen H., Lin C. H., Ku W., Bai J., Han W. Q., J. Am. Chem. Soc., 2011, 133(29), 1121
Li L. H., Wang W. L., Wei B., Comput. Mater. Sci., 2015, 99, 274
Author information
Authors and Affiliations
Corresponding authors
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).
Rights and permissions
About this article
Cite this article
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
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s40242-018-7340-x