Hydrogen Storage in Single-Walled and Multi-Walled Carbon Nanotubes

Abstract

We performed density-functional calculations to search for adsorption sites and predict maximum hydrogen storage capacity in carbon nanotubes. Our calculations show that the storage capacity of hydrogen, limited by the repulsive forces between H2 molecules inside nanotubes, increases linearly with tube diameters in single-walled nanotubes, whereas this value is independent of tube diameters in multi-walled nanotubes. We predict that H storage capacity in (10,10) nanotubes can exceed 14 wt % (161 kg H2/m3).

This is a preview of subscription content, access via your institution.

References

  1. [1]

    S. Iijima and T. Ichihashi, Nature 363, 603 (1993).

    CAS  Article  Google Scholar 

  2. [2]

    M. S. Dresselhauset et al., Science of Fullerenes and Carbon Nanotubes, Academic Press, 1996, Chapter 19.

    Google Scholar 

  3. [3]

    N. Hamadaet et al., Phys. Rev. Lett. 68, 1579 (1992).

    Article  Google Scholar 

  4. [4]

    D.-H. Oh and Y. H. Lee, Phys. Rev. B 58, 7407 (1998).

    CAS  Article  Google Scholar 

  5. [5]

    W. A. de Heeret et al., Science 270, 1179 (1995).

    Article  Google Scholar 

  6. [6]

    R. Saitoet et al., Phys. Rev. B 59, 2388 (1999).

    Article  Google Scholar 

  7. [7]

    W. B. Choiet et al., Appl. Phys. Lett., in print.

  8. [8]

    A. C. Dillonet et al., Nature 386, 377 (1997).

    Article  Google Scholar 

  9. [9]

    Y. Yeet et al., Appl. Phys. Lett. 74, 2307 (1999).

    Article  Google Scholar 

  10. [10]

    A. Chamberset et al., J. Phys. Chem. 102, 4253 (1998).

    Article  Google Scholar 

  11. [11]

    C. Nutzenadelet et al., Electrochem. and Solid-State Lett. 2, 30 (1999).

    Article  Google Scholar 

  12. [12]

    M. Elstneret et al., Phys. Rev. B 58, 7260 (1998).

    Article  Google Scholar 

  13. [13]

    We used DMo13 code, a registered software product of Molecular Simulations Inc.

  14. [14]

    J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).

    CAS  Article  Google Scholar 

  15. [15]

    A. D. Becke, J. Chem. Phys. 88, 2547 (1988).

    CAS  Article  Google Scholar 

  16. [16]

    A. Thesset et al., Science 273, 483 (1996).

    Article  Google Scholar 

  17. [17]

    D. Vinden, Handbook of batterys and fuel cells, McGraw-Hill, New York, 1984.

    Google Scholar 

Download references

Author information

Affiliations

Authors

Corresponding author

Correspondence to Young Hee Lee.

Rights and permissions

Reprints and Permissions

About this article

Cite this article

Lee, S.M., Frauenheim, T., Elstner, M. et al. Hydrogen Storage in Single-Walled and Multi-Walled Carbon Nanotubes. MRS Online Proceedings Library 593, 187–192 (1999). https://doi.org/10.1557/PROC-593-187

Download citation