Abstract
The geometry structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with the adsorption of transition metal atoms (Co and Ni) are investigated by using the density functional theory. The calculated results show that the interaction between Ni atom and ZGNR are stronger than that between Co atom and ZGNR. It is found that the ZGNR with Co adatom adsorbing has more possibility to show the character from semiconducting to the half-metallic one than that of the ZGNR with Ni adatom adsorbing. It is hoped that it may be valuable for investigating the GNR-based electronic devices.
Similar content being viewed by others
References
V.M. Pereira, F. Guinea, J.M.B. Lopes dos Santos, N.M.R. Peres, A.H. Castro Neto, Phys. Rev. Lett. 96, 036801 (2006)
Y.-W. Son, M.L. Cohen, S.G. Louie, Nature (London) 444, 347 (2006)
Y.-W. Son, M.L. Cohen, S.G. Louie, Phys. Rev. Lett. 97, 216803 (2006)
V. Barone, O. Hod, G.E. Scuseria, Nano Lett. 6, 2748 (2006)
E. Rudberg, P. Sałek, Y. Luo, Nano Lett. 7, 2211 (2007)
O. Hod, V. Barone, J.E. Peralta, G.E. Scuseria, Nano Lett. 7, 2295 (2007)
L. Brey, H.A. Fertig, S. Das Sarma, Phys. Rev. Lett. 99, 116802 (2007)
H. Zeng, J. Zhao, J.W. Wei, H.F. Hu, Eur. Phys. J. B 79, 335–340 (2011)
Z. Wang, H. Hu, H. Zeng, Appl. Phys. Lett. 96, 243110 (2010)
K.S. Novoselov, A.K. Geim, S.V. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, A.A. Firsov, Science 306, 666 (2004)
Y. Zhang, Z. Jiang, J.P. Small, M.S. Purewal, Y.W. Tan, M. Fazlollahi, J.D. Chudow, J.A. Jaszczak, H.L. Stormer, P. Kim, Phys. Rev. Lett. 96, 136806 (2006)
K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, M.I. Katsnelson, I.V. Grigorieva, S.V. Dubonos, A.A. Firsov, Nature (London) 438, 197 (2005)
M. Fujita, K. Wakabayashi, K. Nakada, J. Phys. Soc. Jpn. 65, 1920 (1996)
R. Saito, M. Fujita, G. Dresselhaus, M.S. Dresselhaus, Appl. Phys. Lett. 60, 2204 (1992)
D.J. Klein, Chem. Phys. Lett. 217, 261 (1994)
D.-e. Jiang, B.G. Sumpter, S. Dai, J. Chem. Phys. 126, 134701 (2007)
O. Hod, V. Barone, J.E. Peralta, G. Scuseria, Nano Lett. 7, 2295 (2007)
D. Gunlycke, J. Li, J.W. Mintmire, C.T. White, Appl. Phys. Lett. 91, 112108 (2007)
Z. Wang, H. Hu, Y. Wei, Q. Huang, Physica B 405, 3895–3898 (2010)
V.A. Rigo, T.B. Martins, A.J.R. da Silva, A. Fazzio, R.H. Miwa, Phys. Rev. B 79, 075435 (2009)
M. Ushiro, K. Uno, T. Fujikawa, Y. Sato, K. Tohji, F. Watari, W.-J. Chun, Y. Koike, K. Asakura, Phys. Rev. B 73, 144103 (2006)
N. Gorjizadeh, A.A. Farajian, K. Esfarjani, Y. Kawazoe, Phys. Rev. B 78, 155427 (2008)
E.J.G. Santos, D. Sánchez-Portal, A. Ayuela, Phys. Rev. B 81, 125433 (2010)
C. Cao, M. Wu, J. Jiang, H.-P. Cheng, Phys. Rev. B 81, 205424 (2010)
P. Ordejón, E. Artacho, J.M. Soler, Phys. Rev. B 53, R10441 (1996)
D. Sánchez-Portal, P. Ordejón, E. Artacho, J.M. Soler, Int. J. Quant. Chem. 65, 453 (1997)
J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, D. Sánchez-Portal, J. Phys. Condens. Matter 14, 2745 (2002), and references therein
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
Acknowledgements
This study is financially supported by the Scientific Research Foundation of Guilin University of Technology (Grant No. 002401003326), and the Natural Science Foundation of China (Grant No. 11147194 and 11064003), and Scientific Research Fund of Guangxi Provincial Education Department of China (Grant No.201203YB091).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Wang, Z., Xiao, J. & Li, M. Adsorption of transition metal atoms (Co and Ni) on zigzag graphene nanoribbon. Appl. Phys. A 110, 235–239 (2013). https://doi.org/10.1007/s00339-012-7119-8
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s00339-012-7119-8