Abstract
We have investigated the adsorption properties and the electronic structure of graphene/BN and graphene/BN/Cu(111) systems by using van der Waals density functional theory. The ground-state adsorption site of graphene on BN/Cu(111) is found to be the same as that of graphene/BN. The Cu(111) substrate did not induce a significant change in the geometrical feature of graphene/BN. However, the adsorption energy of graphene on BN/Cu(111) is observed to be enhanced due to the Cu(111) substrate. In addition, we have found that the graphene layer displays a weak metallic character in graphene/BN/Cu(111) whereas an energy band gap is observed in the graphene in the graphene/BN bilayer system. Therefore, we have found that the metallic Cu(111) substrate affects the electronic structure and adsorption properties of graphene on BN/Cu(111), although it has no significant effect on the geometrical features
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
K. S. Novoselov, A. K. Geim, S. C. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva and A. A. Firsov, Science 306, 666 (2004).
Y. Zhang, Y.W. Tan, H. L. Stromer and P. Kim, Nature, 438, 201 (2005).
M. Fuentes-Carbera, M. I. Baskes, A. V. Melechko and M. L. Simpson, Phys. Rev. B. 77, 035405 (2008).
B. R. Wu, Appl. Phys. Lett. 98, 263170 (2011).
W. Bao, L. Jing, J. Velasco. Y. Lee, G. Liu, D. Tran, B. Standley, M. Akyol, S. B. Cronin, D. Smirnov, M. Koshino, E. McCann, M. Bockrath and C. N. Lau, Nat. Phys. 7, 948 (2011).
W. Q. Han, W. Mickelson and A. Zettl, Appl. Phys. Lett. 81, 1110 (2002).
T. Kawasaki, T. Ichimura, H. Kishimoto, A. A. Akbar, T. Ogawa and C. Oshima, Surf. Rev. Lett. 9, 1459 (2002).
Y. Fan, M. Zhao, Z. Wang, X. Zhang and H. Zhang, Appl. Phys. Lett. 98, 083101 (2011).
R. Balu, X. Zhong, R. Pandey and S. Karna, Appl. Phys. Lett. 100, 052104 (2012).
T. Xu, Z. Guo, H. Chen, Y. Yuan, J. Lou, X. Lin, H. Gao, H. Chen and B. Yu, Appl. Phys. Lett. 99, 133109 (2011).
S. Das Sarma and E. H. Hwang, Phys. Rev. B 83, 121405 (2011).
Y. Xu, Z. Guo, H. Chen, Y. You, J. Lou, X. Lin, H. Gao, H. Chen and B. Yu, Appl. Phys. Lett. 99, 133109 (2011).
G. Giovannetti, P. A. Khomyakov, G. Brocks, P. J. Kelly and J. van den Brink, Phys. Rev. B 76, 073103 (2007).
C. R. Dean, A. F. Young, I. Meric, C. Lee, L. Wang, S. Sorgenfrei, K. Watanabe, T. Taniguchi, P. Kim. K. L. Shepard and J. Hone, Nat. Nanotech. 5, 722 (2010).
J. Slawinska, I. Zasada, P. Kosinski and Z. Klusek, Phys. Rev. B 82, 085431 (2010).
D. Kim, A. Hashmi and Jisang Hong, Surf. Sci. 610, 27 (2013).
D. Kim, A. Hashmi, C. Hwang and Jisang Hong, Appl. Phys. Lett. 102, 112403 (2013).
A. Hashmi and Jisang Hong, J. Magn. Magn. Mater. 355, 7 (2014).
S. Grimme, J. Comput. Chem. 25, 1463 (2004).
S. Grimme, J. Comput. Chem. 27, 1787 (2006).
S. Grimme, J. Antony, S. Ehrlich and H. Krieg, J. Chem. Phys. 132, 154104, (2010).
M. Dion, H. Rydberg, E. Schroder, D. C. Langreth and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401, (2004).
M. Bokdam, P. Khomyakov, G. Brocks, Z. Zhong and P. Kelly, Nano. Lett. 11, 4631 (2011).
A. Hashmi and Jisang Hong, J. Magn. Magn. Mater. 355, 7 (2013).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Hashmi, A., Hong, J. Metallic behavior and enhanced adsorption energy of graphene on BN layer induced by Cu(111) substrate. Journal of the Korean Physical Society 64, 900–903 (2014). https://doi.org/10.3938/jkps.64.900
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.3938/jkps.64.900