Skip to main content
SpringerLink
Log in

Molecular-Dynamic Simulation of the Bombardment of a Lead Film on Graphene by Xe13 Clusters

  • Structure, Phase Transformations, and Diffusion
  • Published:
The Physics of Metals and Metallography Aims and scope Submit manuscript

Abstract

The purification of graphene from a lead film by irradiating the target with a beam of Xe13 clusters with an energy of 20 eV at different angles of incidence has been studied. Using the method of statistical geometry, it has been shown that, before the bombardment, the double-layer lead film adsorbed on graphene had an irregular structure. Graphene contained divacancies, the edges of which, as well as the edges of the graphene sheet, were hydrogenated. The complete removal of lead from graphene was achieved at the angle of incidence of Xe13 clusters equal to 45°. A major part of the film was separated from graphene in the form of an island, which, after separation, was transformed into a three-dimensional structure. The stresses present in the graphene sheet changed in the course of bombardment, but the stressed state retained after the bombardment was terminated. The type of the distribution of stresses in graphene indicates the absence of enhancement of the stressed state in the course of bombardment. The bombardment at angles of incidence of clusters less than 75° substantially enhances the roughness of graphene. The bombardments in the entire range of the angles of cluster incidence (0°–90°) have resulted in no significant damages in the hydrogenated edges of the graphene sheet.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. S. N. Luoma, “Bioavailability of trace metals to aquatic organisms. A review,” Sci. Total Environ. 28, 1–22 (1983).

    Article  Google Scholar 

  2. W. Hummers and R. Offeman, “Preparation of graphitic oxide,” J. Am. Chem. Soc. 80, 1339–1339 (1958).

    Article  Google Scholar 

  3. L. Zaijan, Y. Yuling, T. Jian, and P. Jiaomai, “Spectrophotometric determination of trace lead in water after preconcentration using mercaptosephadex,” Talanta 60, 123–130 (2003).

    Article  Google Scholar 

  4. M. S. Di Nezio, M. E. Palomeque, and B. S. Fernandez, “A sensitive spectrophotometric method for lead determination by flow injection analysis with on-line preconcentration,” Talanta 63, 405–409 (2004).

    Article  Google Scholar 

  5. D. Kara, M. Alkan, and U. Cakir, “Solvent extraction of copper from aqueous solution with pentaeritrtyl tetrabenzylamine,” Turk. J. Chem. 25, 293–303 (2001).

    Google Scholar 

  6. S. B. Sonawale, Y. V. Ghalsasi, and A. P. Argekar, “Extraction of lead(II) and copper(II) from salicylate media by tributylphosphine oxide,” Anal. Sci. 17, 285–289 (2001).

    Article  Google Scholar 

  7. J. L. Manzoori and A. T. Bavili, “Cloud point preconcentration and flame atomic absorption spectrometric determination of Cd and Pb in human hair,” Anal. Chim. Acta 470, 215–221 (2002).

    Article  Google Scholar 

  8. J. Chen and K. C. Teo, “Determination of cadmium, copper, lead and zinc in water samples by flame atomic absorption spectrometry after cloud point extraction,” Anal. Chim. Acta 450, 215–222 (2001).

    Article  Google Scholar 

  9. S. Yuan, W. Chen, and S. Hu, “Simultaneous determination of cadmium (II) and lead (II) with clay nanoparticles and anthraquinone complexly modified glassy carbon electrode,” Talanta 64, 922–928 (2004).

    Article  Google Scholar 

  10. H. Gao, J. Zhou, M. Lu, W. Fa, and Y. Chen, “First-principles study of the IVA group atoms adsorption on graphene,” J. Appl. Phys. 107, 114311 (2010).

    Article  Google Scholar 

  11. D. Ma and Z. Yang, “First-principles studies of Pb doping in graphene: Stability, energy gap and spin-orbit splitting,” New J. Phys. 13, 123018 (2011).

    Article  Google Scholar 

  12. A. E. Galashev and V. A. Polukhin, “Compaction of a copper film on graphene by argon-beam bombardment: Computer experiment,” J. Surf. Invest. X-ray, Synchr. Neutr. Tech. 8, 1082–1088 (2014).

    Article  Google Scholar 

  13. A. E. Galashev and V. A. Polukhin, “Removal of copper from graphene by bombardment with argon clusters: Computer experiment,” Phys. Met. Metallogr. 115, 697–704 (2014).

    Article  Google Scholar 

  14. A. E. Galashev and O. R. Rakhmanova, “Mechanical and thermal stability of graphene and graphene-based materials,” Phys.-Usp. 57, 970–989 (2014).

    Article  Google Scholar 

  15. A. E. Galashev and A. A. Galasheva, “Molecular dynamics simulation of copper removal from graphene by bombardment with argon clusters,” High Energy Chem. 48, 112–116 (2014).

    Article  Google Scholar 

  16. M. F. Jr. Russo and B. J. Garrison, “Mesoscale energy deposition footprint model for kiloelectronvolt cluster bombardment of solids,” Anal. Chem. 78, 7206–7210 (2006).

    Article  Google Scholar 

  17. M. F. Jr. Russo, C. Szakal, J. Kozole, N. Winograd, and B. J. Garrison, “Sputtering yields for C60 and Au3 bombardment of water ice as a function of incident kinetic energy,” Anal. Chem. 79, 4493–4498 (2007).

    Article  Google Scholar 

  18. E. J. Smiley, N. Winograd, and B. J. Garrison, “Effect of cluster size in kiloelectronvolt cluster bombardment of solid benzene,” Anal. Chem. 79, 494–499 (2007).

    Article  Google Scholar 

  19. Y. Watanabe, H. Yamaguchi, M. Hashinokuchi, K. Sawabe, S. Maruyama, Y. Matsumoto, and K. Shobatake, “Trampoline motions in Xe-graphite (0001) surface scattering,” Chem. Phys. Lett. 413, 331–334 (2005).

    Article  Google Scholar 

  20. J. Tersoff, “Empirical interatomic potential for carbon, with application to amorphous carbon,” Phys. Rev. Lett. 61, 2879–2882 (1988).

    Article  Google Scholar 

  21. S. J. Stuart, A. V. Tutein, and J. A. Harrison, “A reactive potential for hydrocarbons with intermolecular interactions,” J. Chem. Phys. 112, 6472–6486 (2000).

    Article  Google Scholar 

  22. A. E. Galashev and V. A. Polukhin, “Computer study of the physical properties of a copper film on a heated graphene surface,” Phys. Solid State 55, 1733–1738 (2013).

    Article  Google Scholar 

  23. A. E. Galashev and S. Yu. Dubovik, “Molecular dynamics simulation of compression of single-layer graphene,” Phys. Solid State 55, 1976–1983 (2013).

    Article  Google Scholar 

  24. H. Rafii-Tabar, “Modelling the nano-scale phenomena in condensed matter physics via computer-based numerical simulations,” Phys. Rep. 325, 239–310 (2000).

    Article  Google Scholar 

  25. Y. M. Kim and S.-C. Kim, “Adsorption/desorption isotherm of nitrogen in carbon micropores,” J. Korean Phys. Soc. 40, 293–299 (2002).

    Google Scholar 

  26. A. Arkundato, Z. Su’ud, M. Abdullah, and W. Sutrisno, “Study of liquid lead corrosion of fast nuclear reactor and its mitigation by using molecular dynamics method,” Int. J. Appl. Phys. Math. 3, 1–7 (2013).

    Article  Google Scholar 

  27. F.-Y. Li and R. S. Berry, “Dynamics of Xe atoms in NaA zeolites and the 129 Xe chemical shift,” J. Phys. Chem. 99, 2459–2468 (1995).

    Article  Google Scholar 

  28. J. F. Ziegler, J. P. Biersack, and U. Littmark, Stopping and Ranges of Ions in Matter (Pergamon, New York, 1985), Vol. 1.

    Google Scholar 

  29. A. Delcorte and B. J. Garrison, “High yield events of molecule emission induced by keV particle bombardment,” J. Phys. Chem. B 104, 6785–6800 (2000).

    Article  Google Scholar 

  30. F. D. Lamari and D. Levesque, “Hydrogen adsorption on functionalized graphene,” Carbon 49, 5196–5200 (2011).

    Article  Google Scholar 

  31. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, “Molecular dynamics with coupling to an external bath,” J. Chem. Phys. 81, 3684–3690 (1984).

    Article  Google Scholar 

  32. B. Hafskjold and T. Ikeshoji, “Microscopic pressure tensor for hard-sphere fluids,” Phys. Rev. E: Stat., Nonlin., Soft Matter Phys., 66, 011203 (2002).

    Article  Google Scholar 

  33. S. Yu. Davydov, “Energy of substitution of atoms in the epitaxial graphene–buffer layer–SiC substrate system,” Phys. Solid State 54, 875–882 (2012).

    Article  Google Scholar 

  34. Z. H. Jin, H. W. Sheng, and K. Lu, “Melting of Pb clusters without free surfaces,” Phys. Rev. B: Condens. Matter Mater. Phys. 60, 141–149 (1999).

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of High-Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, ul. S. Kovalevskoi 22, Ekaterinburg, 620137, Russia

    A. E. Galashev

Authors
  1. A. E. Galashev
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. E. Galashev.

Additional information

Original Russian Text © A.E. Galashev, 2016, published in Fizika Metallov i Metallovedenie, 2016, Vol. 117, No. 3, pp. 258–265.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Galashev, A.E. Molecular-Dynamic Simulation of the Bombardment of a Lead Film on Graphene by Xe13 Clusters. Phys. Metals Metallogr. 117, 246–253 (2016). https://doi.org/10.1134/S0031918X16030054

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0031918X16030054

Keywords

Search

Navigation