Advertisement

Molecular dynamics study of gold nano-clusters aggregation on a model defected graphene

  • Mohsen Amini
  • Amir Lohrasebi
  • Aminollah Vaez
Original Paper
  • 3 Downloads

Abstract

Functionalized graphene sheets have attracted increasing attention due to their novel micro-/nano-electromechanical applications. In this paper, the aggregation of the gold nano-clusters on the defected graphene sheet is studied by using the molecular dynamics simulation method. It is shown that a model defected graphene with randomly distributed vacancies can affect the formation and aggregation of the Au nano-clusters on the graphene sheet. It is found that the Au nano-clusters agglomerate on the pristine parts of the surface rather than on the defected parts. In addition, the results show that increasing the temperature amplifies the above result and varies the Au nano-cluster sizes. Moreover, it is observed that the aggregation of Au clusters changes the surface roughness. The results presented here would help to design more efficient functionalized graphene-based electronic devices.

Keywords

Functionalized defected graphene Molecular dynamics Surface roughness Nano-clusters aggregation 

PACS Nos.

68.65.Pq 02.70.Ns 68.35.Ct 68.43.Jk 

References

  1. [1]
    H S P Wong and D Akinwande Carbon Nanotube and Graphene Device Physics (London: Cambridge University Press) (2011)Google Scholar
  2. [2]
    L Huang, E F Chor, Y Wu and Z Guo Carbon 48 1298 (2010)CrossRefGoogle Scholar
  3. [3]
    M P Anantram and F Leonard Rep. Prog. Phys. 69 507 (2006)ADSCrossRefGoogle Scholar
  4. [4]
    H Wang, J Luo, F Schäffel, M H Rümmeli, G Andrew, D Briggs and J H Warner Nanotechnology 22 245305 (2011)ADSCrossRefGoogle Scholar
  5. [5]
    J R Pottsa, D R Dreyerb, C W Bielawskib and R S Ruoff Polymer 52 5 (2011)CrossRefGoogle Scholar
  6. [6]
    H Chang and H Wu Energy Environ. Sci. 6 3483 (2013)CrossRefGoogle Scholar
  7. [7]
    T Kuilla, S Bhadra, D Yao, N H Kim, S Bose and J H Lee Prog. Polym. Sci. 35 1350 (2010)CrossRefGoogle Scholar
  8. [8]
    G Mazzamuto and et al. N. J. Phys. 16 113007 (2014)CrossRefGoogle Scholar
  9. [9]
    C Lee, X Wei, J W Kysar and J Hone Science 321 385 (2008)ADSCrossRefGoogle Scholar
  10. [10]
    A A Balandin and et al. Nano Lett. 8 902 (2008)ADSCrossRefGoogle Scholar
  11. [11]
    K Bolotin and et al. Solid State Commun. 146 351 (2008)ADSCrossRefGoogle Scholar
  12. [12]
    F Liu, P Ming and J Li Phys. Rev. B 76 064120 (2007)ADSCrossRefGoogle Scholar
  13. [13]
    C Wang, Q Han and D Xin Mol. Simul. 41 325 (2015)CrossRefGoogle Scholar
  14. [14]
    H Zhao, K Min and N R Aluru Nano Lett. 9 3012 (2009)ADSCrossRefGoogle Scholar
  15. [15]
    H Zhao and N R Aluru J. Appl. Phys. 108 064321 (2010)ADSCrossRefGoogle Scholar
  16. [16]
    J C Meyer, C O Girit, M F Crommie and A Zettl Nature 454 319 (2008)ADSCrossRefGoogle Scholar
  17. [17]
    M Neek-Amal, R Asgari and M R Rahimi-Tabar Nanotechnology 20 135602 (2009)ADSCrossRefGoogle Scholar
  18. [18]
    P Xu and et al. ACS Nano 8 2697 (2014)CrossRefGoogle Scholar
  19. [19]
    M C Wang, C Yan, L Ma, N Hu and M W Chen Comput. Mater. Sci. 54 236 (2012)CrossRefGoogle Scholar
  20. [20]
    A Lohrasebi, M Amini and M Neek-Amal AIP Adv. 4 057113 (2014)ADSCrossRefGoogle Scholar
  21. [21]
    S Plimpton J. Comput. Phys. 117 1 (1995)ADSCrossRefGoogle Scholar
  22. [22]
    D W Brenner, O A Shenderova, J A Harrison, S J Stuart, B Ni and S B Sinnott J. Phys. Condens. Matter 14 783 (2002)ADSCrossRefGoogle Scholar
  23. [23]
    S M Foiles, M I Baskes and M S Daw Phys. Rev. B 33 7983 (1986)ADSCrossRefGoogle Scholar
  24. [24]
    J Mei, J W Davenport and G W Fernando Phys. Rev. B 43 4653 (1991)ADSCrossRefGoogle Scholar
  25. [25]
    W D Luedtke and U Landman Phys. Rev. Lett. 82 3835 (1999)ADSCrossRefGoogle Scholar
  26. [26]
    C L Cleveland, W D Luedtke and U Landman Phys. Rev. B 60 5065 (1999)ADSCrossRefGoogle Scholar
  27. [27]
    A Lohrasebi, M Neek-Amal and M R Ejtehadi Phys. Rev. E 83 042601 (2011)ADSCrossRefGoogle Scholar
  28. [28]
    R Varns and P Strange J. Phys. Condens. Matter 20 225005 (2008)ADSCrossRefGoogle Scholar

Copyright information

© Indian Association for the Cultivation of Science 2018

Authors and Affiliations

  1. 1.Department of Physics, Faculty of SciencesUniversity of IsfahanIsfahanIran

Personalised recommendations