Journal of Solid State Electrochemistry

, Volume 22, Issue 6, pp 1721–1733 | Cite as

On the effect of the carbonaceous substrate in the nucleation of Sn nanoparticles for Li-ion anodes: experiments and first principles calculations

  • Sacha Smrekar
  • Martin E. Zoloff Michoff
  • Jorge E. Thomas
  • Cecilia A. Calderón
  • Lucas M. Farigliano
  • Arnaldo Visintin
  • Ezequiel P. M. Leiva
  • Daniel E. Barraco
Original Paper


The nucleation of Sn nanoparticles by chemical reduction was studied using three different carbonaceous substrates, to obtain Sn/C composites. When used as active materials in anodes for lithium-ion batteries, these composites displayed higher capacities than commercially used graphite, and showed a good cyclability. The differences in morphology, capacity, cyclability, and diffusion between the resulting materials are highlighted. The resulting materials were characterized by charge-discharge cycling, voltammetry, EIS, SEM, and TEM microscopy. It was found that the substrate has a determinant effect on the deposition of Sn. This effect is interpreted in terms of the relative adsorption energies of a single Sn atom obtained from DFT calculations.

Graphical abstract


Li-ion batteries Sn Carbon-based materials DFT 



This work was supported by PIO Conicet-YPF 3855/15, Y-TEC, Agencia Nacional de Promoción Científica, Program BID-Foncyt (PICT-2012-2324, PICT-2015-1605) Argentina, PID Conicet-11220110100992, PID Conicet-11220150100624, CONICET PUE “Desarrollo de baterías de litio” and SeCyT, from the National University of Cordoba. This work used computational resources from CCAD—Universidad Nacional de Córdoba (, in particular the Mendieta Cluster, which is part of SNCAD—MinCyT, República Argentina.

Supplementary material

10008_2017_3859_MOESM1_ESM.pdf (282 kb)
ESM 1 (PDF 282 kb)


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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2017

Authors and Affiliations

  • Sacha Smrekar
    • 1
    • 4
  • Martin E. Zoloff Michoff
    • 2
  • Jorge E. Thomas
    • 3
  • Cecilia A. Calderón
    • 1
    • 4
  • Lucas M. Farigliano
    • 2
  • Arnaldo Visintin
    • 3
  • Ezequiel P. M. Leiva
    • 2
  • Daniel E. Barraco
    • 1
    • 4
  1. 1.Instituto de Física Enrique Gaviola (IFEG)CONICETCórdobaArgentina
  2. 2.INFIQC, CONICET and Departamento de Química Teórica y Computacional, Facultad de Ciencias QuímicasUniversidad Nacional de CórdobaCórdobaArgentina
  3. 3.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Facultad de Ciencias ExactasUniversidad Nacional de La Plata, CCT La Plata-CONICETLa PlataArgentina
  4. 4.Facultad de Matemática, Astronomía, Física y ComputaciónUniversidad Nacional de CórdobaCórdobaArgentina

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