Citation: ZHANG Jun-Jun, ZHANG Zhen-Hua, GUO Chao, LI Jie, DENG Xiao-Qing. Electronic Transport Properties for a Zigzag-Edged Triangular Graphene[J]. Acta Physico-Chimica Sinica, ;2012, 28(07): 1701-1706. doi: 10.3866/PKU.WHXB201204172 shu

Electronic Transport Properties for a Zigzag-Edged Triangular Graphene

1.
School of Physics and Electronic Science, Changsha University of Science and Technology, Changsha 410114, P. R. China

Received Date: 12 January 2012
Available Online: 17 April 2012
Fund Project: 国家自然科学基金(61071015, 61101009) (61071015, 61101009) 湖南省研究生科研创新项目(CX2011B367) (CX2011B367)

Based on the density functional theory and the non-equilibrium Green?s function method, the electronic transport properties of zigzag-edged triangular graphene were studied systematically. The results revealed that the current-voltage (I-V) characteristics and rectifying effects were closely related to the geometric size and the type of atoms terminated at the edges of triangular graphene. In the case of Hand S- terminated edges, a small triangular graphene had a large current but with a small rectifying ratio. Although the current increased, the rectifying behavior was lowered when H atoms at the edges of the structure were replaced by O atoms. Deeper analysis demonstrated that such a rectification was caused by the asymmetry in the spatial distribution of the frontier orbitals and an asymmetric movement on the molecular-level in triangular graphene under positive and negative biases. It is of great significance that our investigations develop a thorough understanding of the basic physical properties of a triangular graphene.
- Triangular graphene,
- Rectifying effect,
- Electronic transport property,
- Density functional theory,
- Non-equilibrium Green?s function method
1. [1]
  
  (1) Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.;Zhang, Y.; Dubonos, S. V.; Gri rieva, I. V.; Firsov, A. A.Science 2004, 306, 666. doi: 10.1126/science.1102896
2. [2]
  (2) Zhang, Y. B.; Tan, Y.W.; Stormer, H. L.; Kim, P. Nature 2005,438, 201. doi: 10.1038/nature04235
3. [3]
  (3) He, J.; Chen, K. Q.; Fan, Z. Q.; Tang, L. M.; Hu,W. P. Appl. Phys. Lett. 2010, 97, 193305. doi: 10.1063/1.3515921
4. [4]
  (4) Zeng, J.; Chen, K. Q.; He, J.; Fan, Z. Q.; Zhang, X. J. J. Appl. Phys. 2011, 109, 124502. doi: 10.1063/1.3600067
5. [5]
  (5) Ouyang, F.; Peng, S.; Liu, Z.; Liu, Z. ACS Nano 2011, 5, 4023.doi: 10.1021/nn200580w
6. [6]
  (6) Ouyang, F.; Xiao, J.; Guo, R.; Zhang, H.; Xu, H. Nanotechnology2009, 20, 055202. doi: 10.1088/0957-4484/20/5/055202
7. [7]
  (7) Tombros, N.; Jozsa, C.; Popinciuc, M.; Jonkman, H. T.; vanWees, B. J. Nature 2007, 448, 571. doi: 10.1038/nature06037
8. [8]
  (8) Ci, L.; Xu, Z.;Wang, L.; Gao,W.; Ding, F.; Kelly, K. F.;Yakobson, B. I.; Ajayan, P. M. Nano Res. 2008, 1, 116. doi: 10.1007/s12274-008-8020-9
9. [9]
  (9) Sun, D. L.; Peng, S. L.; Ouyang, J.; Ouyang, F. P. Acta Phys. - Chim. Sin. 2011, 27, 1103. [孙大立, 彭盛霖, 欧阳俊, 欧阳方平. 物理化学学报, 2011, 27, 1103.] doi: 10.3866/PKU.WHXB20110521
10. [10]
  (10) Xu, N.; Kong, F. J.;Wang, Y. Z. Acta Phys. -Chim. Sin. 2011,27, 559. [徐宁, 孔凡杰, 王延宗. 物理化学学报, 2011, 27,559.] doi: 10.3866/PKU.WHXB20110305
11. [11]
  (11) Dai, X. Q.; Li, Y. H.; Zhao, J. H.; Tang, Y. N. Acta Phys. -Chim. Sin. 2011, 27, 369. [戴宪起, 李艳慧, 赵建华, 唐亚楠. 物理化学学报, 2011, 27, 369.] doi: 10.3866/PKU.WHXB20110224
12. [12]
  (12) Liu, B.; Sun, H. J.; Peng, T. J. Acta Phys. -Chim. Sin. 2012, 28,799. [刘波, 孙红娟, 彭同江. 物理化学学报, 2012, 28,799.] doi: 10.3866/PKU.WHXB201202012
13. [13]
  (13) Li, Y. X.;Wei, Z. D.; Zhao, Q. L.; Ding,W.; Zhang, Q.; Chen, S.G. Acta Phys. -Chim. Sin. 2011, 27, 858. [李云霞, 魏子栋, 赵巧玲, 丁炜, 张骞, 陈四国. 物理化学学报, 2011, 27,858.] doi: 10.3866/PKU.WHXB20110411
14. [14]
  (14) Du, X.; Skachko, I.; Barker, A.; Andre, E. Y. Nat. Nanotechnol.2008, 3, 491. doi: 10.1038/nnano.2008.199
15. [15]
  (15) Son, Y.W.; Cohen, M. L.; Louie, S. G. Phys. Rev. Lett. 2006, 97,216803. doi: 10.1103/PhysRevLett.97.216803
16. [16]
  (16) Ezawa, M. Phys. Rev. B 2006, 73, 045432. doi: 10.1103/PhysRevB.73.045432
17. [17]
  (17) Ezawa, M. Phys. Rev. B 2008, 77, 155411. doi: 10.1103/PhysRevB.77.155411
18. [18]
  (18) Ezawa, M. Phys. Rev. B 2007, 76, 245415. doi: 10.1103/PhysRevB.76.245415
19. [19]
  (19) Ezawa, M. Eur. Phys. J. B 2009, 67, 543. doi: 10.1140/epjb/e2009-00041-7
20. [20]
  (20) Ezawa, M. Physica E 2010, 42 , 703.
21. [21]
  (21) Taylor, J.; Guo, H.;Wang, J. Phys. Rev. B 2001, 63, 245407.
22. [22]
  (22) Brandbyge, M.; Mozos, J. L.; Ordejon, P.; Taylor, J.; Stokbro, K.Phys. Rev. B 2002, 65, 165401.
23. [23]
  (23) Landauer, R. Philos. Mag. 1970, 21, 863. doi: 10.1080/14786437008238472
24. [24]
  (24) Zhang, Z. H.; Deng, X. Q.; Tan, X. Q.; Qiu, M.; Pan, J. B. Appl. Phys. Lett. 2010, 97, 183105. doi: 10.1063/1.3506485
25. [25]
  (25) Zhang, Z. H.; Yang, Z.; Yuan, J. H.; Zhang, H.; Deng, X. Q.;Qiu, M. J. Chem. Phys. 2008, 129, 094702. doi: 10.1063/1.2970073
26. [26]
  (26) Zhao, J.; Yu, C.;Wang, N.; Liu, H. J. Phys. Chem. C 2010, 114,4135. doi: 10.1021/jp905713a
27. [27]
  (27) Liu, H.;Wang, N.; Li, P.; Yin, X.; Yu, C.; Gao, N.; Zhao, J.Phys. Chem. Chem. Phys. 2011, 13, 1301.
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沈阳化工大学材料科学与工程学院沈阳 110142