Register
ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2011,Vol.27>> Issue(05)>> 1103-1107     doi: 10.3866/PKU.WHXB20110521         中文摘要
THEORETICAL AND COMPUTATIONAL CHEMISTRY
Electronic Transport Properties of Graphene Nanoribbons with Nanoholes
SUN Da-Li1, PENG Sheng-Lin1, OUYANG Jun1, OUYANG Fang-Ping1,2
1. School of Physics Science and Technology, Central South University, Changsha 410083, P. R. China;
2. College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, P. R. China
Full text: PDF (659KB) HTML Export: BibTeX | EndNote (RIS)

Based on the density of the general theory, the structures of ziqzag graphene nanoribbons (ZGNRs) (N=17, N is the number of carbon chain) with nanoholes are optimized and then get the transport property of the electrons in these systems with different holes through the calculation. The results show that the conductance is not only related to the quantum confinement effect, but also confined by the symmetry of the hole and the configuration of the diagonal symmetry is larger than the longitudinal symmetry′s in the presence of a single-hole. In the case of two holes, the conduction of the system is advanced with the growth of the distance between the two holes because of the coupling effect. At the same time, we can get some quantum phenomenon which can be explained by the model of one- dimensional double barrier.



Keywords: Graphene nanoribbon   Nanoholes   Quantum confinement effect   Symmetry  
Received: 2010-12-12 Accepted: 2011-01-15 Publication Date (Web): 2011-04-08
Corresponding Authors: OUYANG Fang-Ping Email: ouyangyh@pku.edu.cn

Fund: The project was supported by the China Postdoctoral Science Foundation (201003009, 20090460145), Fundamental Research Funds for the Central Universities, China (201012200053), Science and Technology Program of Hunan Province, China (2010DFJ411), and Science Develop Foundation of Central South University, China (08SDF02, 09SDF09).

Cite this article: SUN Da-Li, PENG Sheng-Lin, OUYANG Jun, OUYANG Fang-Ping. Electronic Transport Properties of Graphene Nanoribbons with Nanoholes[J]. Acta Phys. -Chim. Sin., 2011,27 (05): 1103-1107.    doi: 10.3866/PKU.WHXB20110521

(1) Peres, N. M. R.; Klironomo, F. D.; Tsai, S. W.; Santos, J. R.; Lopes, J. M. B.; Castro, A. H. Eur. Phys. Lett. 2007, 80, 67007.
(2) Ouyang, F. P.; Yang, Z. X.; Xiao, J.; Wu, D.; Xu, H. J. Phys. Chem. C 2010, 114, 15578.
(3) Palacios, J. J.; Rossier, J. F.; Brey, L. Phys. Rev. B 2008, 77, 195428.
(4) Ouyang, F. P.;Wang, H. Y.; Li, M. J.; Xiao, J.; Xu, H. Acta Phys. Sin. 2008, 57, 7132.
[欧阳方平, 王焕友, 李明君, 肖 金, 徐 慧. 物理学报, 2008, 57 ,7132.]
(5) Ouyang, F. P.; Xu, H.; Lin, F. Acta Phys. Sin. 2009, 58, 4132.
[欧阳方平, 徐 慧, 林 峰. 物理学报, 2009, 58, 4132.]
(6) Ouyang, F. P.;Wang, X. J.; Zhang, H.; Xiao, J.; Chen, L.N.; Xu, H. Acta Phys. Sin. 2009, 58, 5640.
[欧阳方平, 王晓军, 张 华, 肖 金, 陈灵娜, 徐 慧. 物理学报, 2009, 58, 5640.]
(7) Yan, J. Y.; Zhang, P.; Sun, B.; Zhou, L.; Wang, Z. G.; Duan, S. Q.; Zhao, X. G. Phys. Rev. B 2009, 79, 115403.
(8) Shen, T.; Wu, Y. Q.; Capano, M. A.; Rokhinson, L. P.; Engel, L. W.; Ye, P. D. Appl. Phys. Lett. 2008, 93, 122102.
(9) Xiong, Y. J.; Kong, X. L. Physica B 2010, 405, 1690.
(10) Zhou, Y. X.; Ernzerhof, M. J. Chem. Phys. 2010, 132, 104706.
(11) Rosales, L.; Pacheco, M.; Barticevic, Z.; León, A.; Latgé, A.; Orellana, P. A. Phys. Rev. B 2009, 80, 073402.
(12) Topsakal, M.; Aktürk, E.; Sevin?li, H.; Ciraci, S. Phys. Rev. B 2008, 78, 235435.
(13) Zheng, X. H.; Zhang, G. R.; Zeng, Z.; Víctor, M.; García, S.; Colin, J. L. Phys. Rev. B. 2009, 80, 075413.
(14) Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
(15) Ren, Y.; Chen, K. Q. J. Appl. Phys. 2010, 107, 044514.
(16) Bahamon, D. A.; Pereira, A. L. C.; Schulz, P. A. Phys. Rev. B 2010, 82, 165438.
(17) Canning, A.; Galli, G.; Kim, J. Phys. Rev. Lett. 1997, 78, 4442.
(18) Yamamoto, H. Appl. Phys. A 1987, 42, 245.
(19) Zhao, X. P.; Wang, C. K. Journal of Shandong Normal University 1999, 14, 3.
[赵锡平, 王传奎. 山东师大学报自然科学, 1999, 14, 3.]

1. BIAN Jiang-Yu, YUE Shu-Mei, ZHANG Min, ZHANG Jing-Ping.Effects of Azido Bridge on Magnetic Properties of Dinuclear Nickel Complexes: Density Functional Theory Studies[J]. Acta Phys. -Chim. Sin., 2015,31(6): 1086-1092
2. ZHOU Jie, LI Bo-Lin, ZHU Pei-Zhi, LU Xiao-Lin.Vibrational Activity Change of Self-Assembled Monolayers upon Chemical Attachment and Nanoscale Block Revealed by Surface Enhanced Raman Spectroscopy[J]. Acta Phys. -Chim. Sin., 2014,30(4): 623-627
3. ZHANG Hui, YAN Jian-Xin, WU Shu-Ting, LI Dan, WAN Shi-Gang, DING Lei, LIN Li-Rong.Further Understanding on the Measurement Methods for Solid-State Circular Dichroism Spectroscopy——Discussion on Concentration Effects[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2481-2497
4. LU Jun-Ran, LI Yi, YU Ji-Hong, LU Ying.Predicting Hypothetical Zeolite Frameworks Using Program FraGen[J]. Acta Phys. -Chim. Sin., 2013,29(08): 1661-1665
5. ZHAO Lei, WAN Shi-Gang, CHEN Cheng-Dong, LIN Yi-ji, FANG Xue-Ming, ZHANG Hui.Mirror Symmetry Breaking and Absolute Configuration Correlations of Fe(III) Complexes with Achiral Substituted o-Iminobenzosemiquinonato Ligands[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1183-1191
6. WANG Wen-Qing, GONG Yan, SHEN Xin-Chun, ZHANG Yu-Feng.Experimental Test of“Parity-Time Asymmetry”in Electron Spin-Flip Raman Scattering of the N+H…O Hydrogen Bond in Chiral Alanine Crystals[J]. Acta Phys. -Chim. Sin., 2013,29(03): 473-478
7. LIU Cheng-Yong, YAN Jian-Xin, LIN Yi-Ji, LI Dan, FANG Xue-Ming, ZHANG Hui.Mirror Symmetry Breaking of cis-[Ni(NCS)2tren]: Special Chiral Conformations of Chelate Rings[J]. Acta Phys. -Chim. Sin., 2012,28(02): 257-264
8. XING Sheng-Kai, LI Yun, ZHAO Xue-Zhuang, CAI Zun-Sheng, SHANG Zhen-Feng, WANG Gui-Chang.Molecular Symmetry of Möbius Cyclacenes[J]. Acta Phys. -Chim. Sin., 2011,27(05): 1000-1004
9. XING Sheng-Kai, LI Yun, ZHAO Xue-Zhuang, SHANG Zhen-Feng, XU Xiu-Fang, CAI Zun-Sheng, WANG Gui-Chang, LI Rui-Fang.Fuzzy Symmetry Characteristics of Polyyne, Cumulative Polyene and Full Carbon RingMolecules[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1947-1958
10. XUAN Wei-Min; ZOU Fang; CHEN Lei-Qi; FANG Xue-Ming; LIAN Wei; ZHANG Hui.Mechanism of Absolute Asymmetric Synthesis and Solid-State CD Spectroscopy of BPOB[J]. Acta Phys. -Chim. Sin., 2008,24(06): 955-960
11. ZHAO Xue-Zhuang; XU Xiu-Fang; SHANG Zhen-Feng; WANG Gui-Chang; LI Rui-Fang.Fuzzy Symmetry Characteristics of Propadine Molecule[J]. Acta Phys. -Chim. Sin., 2008,24(05): 772-780
12. MO Li-Xin;ZENG Yan-Li;ZHANG Xue-Ying;ZHENG Shi-Jun;MENG Ling-Peng.Topological Studies on the Structures of the Neutral and Charged BH4[J]. Acta Phys. -Chim. Sin., 2007,23(01): 120-123
13. ZHANG Hui;WANG Xian-Ying;CHEN Lei-Qi;FANG Xue-Ming;GAO Jing-Xing XU Zhi-Gu(608).Absolute Asymmetry Synthesis and Resolution Mechanism of Chiral cis-bromoamminebis(ethylenediamine) cobalt(III) Bromide[J]. Acta Phys. -Chim. Sin., 2006,22(05): 608-615
14. Zhao Xue-Zhuang;Xu Xiu-Fang.The Molecular Fuzzy Symmetry[J]. Acta Phys. -Chim. Sin., 2004,20(10): 1175-1178
15. Lü Jin;Xu Xiao-Hong;Wu Hai-Shun.Structure and Magnetism of Con(n=2~10) Clusters[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1118-1122
16. Zhang Jian-Hua;Wu Yue;Zhuang You-Yi;Zhang Han-Jie;Li Hai-Yang;He Pi-Mo;Bao Shi-Ning;Liu Feng-Qin;K.Yibulaxin;Qian Hai-Jie.Orbital Symmetry of the Acetylene on Ru(1010) Surface[J]. Acta Phys. -Chim. Sin., 2001,17(07): 600-603
17. Du Shao-Bin; Wang Jin; Ma Fu-Tai; Zheng Hong-Yuan; Lou Hui; Jing Cheng-Heng.Correlation of Composition、Crystal Structure、Reducibility and Catalytic Oxidation Activity on La-Mn-Ni-O System[J]. Acta Phys. -Chim. Sin., 1992,8(05): 630-635
18. HAO Xu-Qiang, YANG Hao, JIN Zhi-Liang, XU Jing, MIN Shi-Xiong, LÜ Gong-Xuan.Quantum Confinement Effect of Graphene-Like C3N4 Nanosheets for Efficient Photocatalytic Hydrogen Production from Water Splitting[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
Copyright © 2006-2016 Editorial office of Acta Physico-Chimica Sinica
Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388 Email:whxb@pku.edu.cn
^ Top