Journal of Applied Electrochemistry

, Volume 49, Issue 10, pp 1027–1034 | Cite as

New Si–Cu and Si–Ni anode materials for lithium-ion batteries

  • Alexander Y. GalashevEmail author
  • Yuri P. Zaikov
Research Article
Part of the following topical collections:
  1. Batteries


The functioning of the new anode materials in the form of silicene on copper and nickel substrates was tested by the method of molecular dynamics. It is shown that, two-layer silicene, both ideal and with vacancy defects, on Cu (111) and Ni (111) substrates is more preferable for intercalation of lithium than the corresponding material on Ag (111) substrate. In turn, a higher capacity was found for a lithium-filled silicene channel on a nickel substrate than for a corresponding anode on a copper substrate. In addition, local shear stresses in a functioning silicene anode on a Ni (111) substrate are lower than those on a Cu (111) substrate.

Graphic abstract


Copper Lithium ion Molecular dynamics Nickel Silicene Stress 



This work was supported by the Russian Science Foundation (the Grant Number 16-13-00061).

Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflicts of interest.

Supplementary material

10800_2019_1344_MOESM1_ESM.pdf (550 kb)
Supplementary material 1 (PDF 549 kb)


  1. 1.
    Kamali AR, Fray DJ (2011) Tin-based materials as advanced anode materials for lithium ion batteries: a review. Rev Adv Mater Sci 27:14–24Google Scholar
  2. 2.
    Dou F, Shi L, Chen G, Zhang D (2019) Silicon/carbon composite anode materials for lithium-ion batteries. Electrochem Energy Rev 2:149–198. CrossRefGoogle Scholar
  3. 3.
    Ryu J, Hong D, Lee H-W, Park S (2017) Practical considerations of Si-based anodes for lithium-ion battery applications. Nano Res 10(12):3970–4002. CrossRefGoogle Scholar
  4. 4.
    Salah M, Murphy P, Hall CJ, Francis C, Kerr R, Fabretto M (2019) Pure silicon thin-film anodes for lithium-ion batteries: a review. J Power Sources 414:48–67. CrossRefGoogle Scholar
  5. 5.
    Luo X, Lang J, Lv S, Li Z (2018) High performance sandwich structured Si thin film anodes with LiPON coating. Front Mater Sci 12(2):147–155. CrossRefGoogle Scholar
  6. 6.
    Zamani N, Modarresi-Alam AR, Noroozifar M, Javanbakht M (2019) The improved performance of lithium-ion batteries via the novel electron transport catalytic role of polyaniline (PANI) in PANI/Co3O4–CuO raspberry as new anode material. J Appl Electrochem 49(3):327–340. CrossRefGoogle Scholar
  7. 7.
    Wang L, Jia J, Wu Y, Niu K (2018) Antimony/reduced graphene oxide composites as advanced anodes for potassium ion batteries. J Appl Electrochem 48(10):1115–1120. CrossRefGoogle Scholar
  8. 8.
    Kim S-J, Moon S-H, Kim M-C, So J-Y, Han S-B, Kwak D-H, Bae W-G, Park K-W (2018) Micro-patterned 3D Si electrodes fabricated using an imprinting process for high-performance lithium-ion batteries. J Appl Electrochem 48(9):1057–1068. CrossRefGoogle Scholar
  9. 9.
    Li WG, Xu XB, Liu C, Tekell MC, Ning J, Guo JH, Zhang JC, Fan DL (2017) Ultralight and binder-free all-solid-state flexible supercapacitors for powering wearable strain sensors. Adv Funct Mater 27:1702738. CrossRefGoogle Scholar
  10. 10.
    Lu J, Chen Z, Pan F, Cui Y, Amine K (2018) High-performance anode materials for rechargeable lithium-ion batteries. Electrochem Energy Rev 1:35–53. CrossRefGoogle Scholar
  11. 11.
    Balogun MS, Zeng YX, Qiu WT, Luo Y, Onasanya A, Olaniyi TK, Tong YX (2016) Three-dimensional nickel nitride (Ni3N) nanosheets: free standing and flexible electrodes for lithium ion batteries and supercapacitors. J Mater Chem A 4:9844–9849. CrossRefGoogle Scholar
  12. 12.
    Song Y, Xu JL, Liu XX (2014) Electrochemical anchoring of dual doping polypyrrole on graphene sheets partially exfoliated from graphite foil for high-performance supercapacitor electrode. J Power Sources 249:48–58. CrossRefGoogle Scholar
  13. 13.
    Galashev AE, Zaikov YuP (2015) Computer simulation of Li+ ion interaction with a graphene sheet. Rus J Phys Chem A 89:2243–2247. CrossRefGoogle Scholar
  14. 14.
    Kawahara K, Shirasawa T, Arafune R, Lin C-L, Takahashi T, Kawai M, Takagi N (2014) Determination of atomic positions in silicone on Ag(111) by low-energy electron diffraction. Surf Sci 623:25–28. CrossRefGoogle Scholar
  15. 15.
    Mazzone AM (2003) Ag deposited onto the (100) surface in silicon studied by density functional theory and classical molecular dynamics. Eur Phys J B 35:517–524. CrossRefGoogle Scholar
  16. 16.
    Galashev AY, Ivanichkina KA (2018) Computer study of atomic mechanisms of intercalation/deintercalation of Li ions in a silicene anode on an Ag (111) substrate. J Electrochem Soc 165:A1788–A1796. CrossRefGoogle Scholar
  17. 17.
    Galashev AY, Ivanichkina KA (2019) Computer test of a new silicone anode for lithium-ion battery. ChemElectroChem 6:1525–1535. CrossRefGoogle Scholar
  18. 18.
    Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–19. CrossRefGoogle Scholar
  19. 19.
    Brostow W, Dussault J-P, Fox BL (1978) Construction of Voronoi polyhedral. J Comput Phys 29:81–92. CrossRefGoogle Scholar
  20. 20.
    Galashev AE, Elshina LA, Muradymov RV (2016) Molecular dynamic study of the mechanism of formation of 2D carbon nanostructures in a solid Al–C nanocomposite grain. Rus J Phys Chem A 90(12):2444–2448. CrossRefGoogle Scholar
  21. 21.
    Galashev AY (2015) Computer study of the removal of Cu from the graphene surface using Ar clusters. Comput Mater Sci 98:123–128. CrossRefGoogle Scholar
  22. 22.
    Galashev AY (2013) Atomistic simulations of methane interactions with an atmospheric moisture. J Chem Phys 139:124303. CrossRefGoogle Scholar
  23. 23.
    Chavez-Castillo MR, Rodrıguez-Mezab MA, Meza-Montes L (2015) Size, vacancy and temperature effects on Young’s modulus of silicene nanoribbons. RSC Adv 5:96052–96061. CrossRefGoogle Scholar

Copyright information

© Springer Nature B.V. 2019

Authors and Affiliations

  1. 1.Institute of High-Temperature Electrochemistry, Ural BranchRussian Academy of SciencesYekaterinburgRussia
  2. 2.Ural Federal UniversityYekaterinburgRussia

Personalised recommendations