Studies on structural defects in carbon nanotubes

doi:10.1007/s11467-009-0021-y

Front. Phys.

2009, Vol. 4

Issue (3) : 297-306 https://doi.org/10.1007/s11467-009-0021-y

REVIEW ARTICLE

Studies on structural defects in carbon nanotubes

Hai-yan HE (何海燕), Bi-cai PAN (潘必才,

)

Hefei National Laboratory for Physical Sciences at the Microscale, Department of Physics, University of Science and Technology of China, Hefei 230026, China

Download: PDF(1067 KB) HTML
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks

Abstract

Structural defects in carbon nanotubes (CNTs) have been paid much attention, because they influence the properties of the CNTs to some extent. Among various defects in CNTs, both single vacancies and Stone–Wales (SW) defects are the simple and common ones. In this paper, we review the progress of research in these two kinds of defects in CNTs. For single vacancies, we first address their different structural features in both zigzag and armchair CNTs, and their stabilities in CNTs with different sizes and different symmetries systematically. The presence of the single vacancies in CNTs not only influences the electronic structures of the systems, but also affects the vibrational properties of the tubes. Nevertheless, being active chemically, the single vacancies in the tubes prefer to interact with adsorbates nearby, of which the interaction of the defects with hydrogen atom, hydrogen molecule and some small hydrocarbon radicals (–CH, –CH2 and –CH3) are discussed. The former is associated with H storage and the latter is of merit to improve the local structure of the defect in a CNT. For the Stone–Wales defect, we mainly focus on its stability in various CNTs. The influence of the SW defects on the conductance of CNTs and the identification of such a defect in CNT is described in brief.

Keywords nanotubes defects adsorption theoretical calculation

Corresponding Author(s): null,Email:bcpan@ustc.edu.cn

Issue Date: 05 September 2009

Cite this article:

Hai-yan HE (何海燕),Bi-cai PAN (潘必才). Studies on structural defects in carbon nanotubes[J]. Front. Phys. , 2009, 4(3): 297-306.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-009-0021-y
https://academic.hep.com.cn/fop/EN/Y2009/V4/I3/297

1	S. Iijima, Nature (London) , 1991, 354: 56 doi: 10.1038/354056a0
2	H. Dai, J. H. Hafner, A. G. Rinzler, D. T. Ccbert, and R. E. Smalley, Nature(London) , 1996, 384: 147 doi: 10.1038/384147a0
3	P. Kim and C. M. Lieber, Science , 1999, 286: 2148 doi: 10.1126/science.286.5447.2148
4	P. Pancharal, Z. L. Wang, D. Ugarte, and W. de Heer, Science , 1999, 283: 1513 doi: 10.1126/science.283.5407.1513
5	S. J. Tans, R. M. Verschueren, and C. Dekker, Nature (London) , 1999, 393: 49
6	R. S. Friedman, N. C. McAlpine, D. S. Ricketts, D. Ham, and C. M. Lieber, Nature (London) , 2005, 434: 1085 doi: 10.1038/4341085a
7	M. S. Dresselhaus and P. C. Eklund, Adv. Phys. , 2000, 49: 705 doi: 10.1080/000187300413184
8	A. M. Rao, E. Richter, S. Bandow, B. Chase, P. C. Eklund, K. W. Williams, M. Menon, K. R. Subbaswamy, A. Thess, R. E. Smalley, G. Dresselhaus, and M. S. Dresselhaus, Science , 1997, 275: 187 doi: 10.1126/science.275.5297.187
9	A. Kasuya, Y. Sasaki, Y. Saito, K. Tohji, and Y. Nishina, Phys. Rev. Lett. , 1997, 78: 4434 doi: 10.1103/PhysRevLett.78.4434
10	J. Hone, B. Batlogg, Z. Benes, A. T. Johnson, and J. E. Fischer, Science , 2000, 289: 1730 doi: 10.1126/science.289.5485.1730
11	R. A. Jishi, L. Venkataraman, M. S. Dresselhaus, and G. Dresselhaus, Chem. Phys. Lett. , 1993, 209: 77 doi: 10.1016/0009-2614(93)87205-H
12	D. B. Mawhinney, V. Naumenko, A. Kuznetsova, J. T. Yates, Jr. J. Liu, and R. E. Smalley, Chem. Phys. Lett. , 2000, 324: 213 doi: 10.1016/S0009-2614(00)00526-1
13	M. Volpe and F. Cleri, Chem. Phys. Lett. , 2003, 371: 476 doi: 10.1016/S0009-2614(03)00271-9
14	O. Gulseren, T. Yildirim, and S. Ciraci, Phys. Rev. B , 2002, 66: 121401 doi: 10.1103/PhysRevB.66.121401
15	J. C. Charlier, T. W. Ebbesen, and Ph. Lambin, Phys. Rev. B , 1996, 53: 11108 doi: 10.1103/PhysRevB.53.11108
16	P. M. Ajayan, V. Ravikumar, and J. C. Charlier, Phys. Rev. Lett. , 1998, 81: 1437 doi: 10.1103/PhysRevLett.81.1437
17	A. J. Lu and B. C. Pan, Phys. Rev. Lett. , 2004, 92: 105504 doi: 10.1103/PhysRevLett.92.105504
18	A. V. Krasheninnikov, K. Nordlund, M. Sirvio, E. Salonen, and J. Keinonen, Phys. Rev. B , 2001, 63: 245405 doi: 10.1103/PhysRevB.63.245405
19	V. H. Crespi, M. L. Cohen, and A. Rubio, Phys. Rev. Lett. , 1997, 79: 2093 doi: 10.1103/PhysRevLett.79.2093
20	V. H. Crespi, N. G. Chopra, M. L. Cohen, A. Zettle, and S. G. Louie, Phys. Rev. B , 1996, 54: 5927 doi: 10.1103/PhysRevB.54.5927
21	A. Hansson, M. Paulsson, and S. Stafstrom, Phys. Rev. B , 2000, 62: 7639 doi: 10.1103/PhysRevB.62.7639
22	Y. F. Zhu, T. Yi, B. Zheng, and L. L. Cao, Appl. Surf. Sci. , 1999, 137: 83 doi: 10.1016/S0169-4332(98)00372-9
23	M. Terrones, H. Terrones, F. Banhart, J. C. Charlier, and P. M. Ajayan, Science , 2000, 288: 1226 doi: 10.1126/science.288.5469.1226
24	J. Rossato, R. J. Baierle, A. Fazzio, and R. Mota, Nano Lett. , 2005, 5: 197 doi: 10.1021/nl048226d
25	B. C. Pan, W. S. Yang, and J. L. Yang, Phys. Rev. B , 2000, 62: 12652 doi: 10.1103/PhysRevB.62.12652
26	S. Lee, G. Kim, H. Kim, B. Y. Choi, J. Lee, B. W. Jeong, J. Ihm, Y. Kuk, and S. J. Kahng, Phys. Rev. Lett. , 2005, 95: 166402 doi: 10.1103/PhysRevLett.95.166402
27	S. L. Zhang, S. L. Mielke, R. Khare, D. Troya, R. S. Ruoff, G. C. Schatz, and T. Belytschko, Phys. Rev. B , 2005, 71: 115403 doi: 10.1103/PhysRevB.71.115403
28	J. Han, M. P. Anantram, R. L. Jaffe, J. Kong, and H. Dai, Phys. Rev. B , 1998, 57: 14983 doi: 10.1103/PhysRevB.57.14983
29	D. L. Carroll, P. Redlich, P. M. Ajayan, J. C. Charlier, X. Blase, A. De vita, and R. Car, Phys. Rev. Lett. , 1997, 78: 2811 doi: 10.1103/PhysRevLett.78.2811
30	M. B. Nardelli, B. I. Yakobson, and J. Bernholc, Phys. Rev. B , 1998, 57: R4277 doi: 10.1103/PhysRevB.57.R4277
31	M. B. Nardelli, B. I. Yakobson, and J. Bernholc, Phys. Rev. Lett. , 1998, 81: 4656 doi: 10.1103/PhysRevLett.81.4656
32	V. H. Crespi, M. L. Cohen, and A. Rubio, Phys. Rev. Lett. , 1997, 79: 2093 doi: 10.1103/PhysRevLett.79.2093
33	L. Chico, L. X. Benedict, S. G. Louie, and M. L. Cohen, Phys. Rev. B , 1996, 54: 2600 doi: 10.1103/PhysRevB.54.2600
34	A. Rubio, Appl. Phys. A: Mater. Sci. Process , 1999, 68: 275 doi: 10.1007/s003390050888
35	L. G. Bulusheva, A. V. Okotrub, and D. A. Romanov, J. Phys. Chem. A , 1998, 102: 975 doi: 10.1021/jp972300h
36	H. Y. He, and B. C. Pan, Phys. Rev. B , 2008, 77: 073410 doi: 10.1103/PhysRevB.77.073410
37	D. Sanchez-Portal, P. Ordejon, E. Artacho, and J. M. Soler, Int. J. Quantum Chem. , 1997, 65: 453 doi: 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V
38	N. Troullier and J. L. Martins, Phys. Rev. B , 1991, 43: 1993 doi: 10.1103/PhysRevB.43.1993
39	J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys.: Condens. Matter , 2002, 14: 2745, and references therein doi: 10.1088/0953-8984/14/11/302
40	M. T. Yin and M. L. Cohen, Phys. Rev. B , 1982, 26: 3259 doi: 10.1103/PhysRevB.26.3259
41	J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. , 1996, 77: 3865 doi: 10.1103/PhysRevLett.77.3865
42	S. Guha, J. Menendez, J. B. Page, and G. B. Adams, Phys. Rev. B , 1996, 53: 13106 doi: 10.1103/PhysRevB.53.13106
43	R. Saito, T. Takeya, T. Kimura, G. Dresselhaus, and M. S. Dresselhaus, Phys. Rev. B , 1998, 57: 4145 doi: 10.1103/PhysRevB.57.4145
44	K. Tada, S. Furuya, and K. Watanabe, Phys. Rev. B , 2001, 63: 155405 doi: 10.1103/PhysRevB.63.155405
45	T. Yildirim, O. Gulseren, and S. Ciraci, Phys. Rev. B , 2001, 64: 075404 doi: 10.1103/PhysRevB.64.075404
46	S. M. Lee, K. Hyeok, Y. H. Lee, G. Seifert, and T. Frauenheim, J. Am. Chem. Soc. , 2001, 123: 5059 doi: 10.1021/ja003751+
47	J. S. Arellano, L. M. Molina, A. Rubio, M. J. Lopez, and J. A. Alonso, J. Chem. Phys. , 2002, 117: 2281 doi: 10.1063/1.1488595
48	S. P. Chan, G. Chen, X. G. Gong, and Z. F. Liu, Phys. Rev. Lett. , 2001, 87: 205502 doi: 10.1103/PhysRevLett.87.205502
49	M. Volpe and F. Cleri, Chem. Phys. Lett. , 2003, 371: 476 doi: 10.1016/S0009-2614(03)00271-9
50	K. A. Williams and P. C. Eklund, Chem. Phys. Lett. , 2000, 320: 352 doi: 10.1016/S0009-2614(00)00225-6
51	M. Shiraishi, T. Takenobu, and M. Ata, Chem. Phys. Lett. , 2003, 367: 633 doi: 10.1016/S0009-2614(02)01781-5
52	J. J. Zhao, A. Buldum, J. Han, and J. P. Lu, Nanotechnology , 2002, 13: 195 doi: 10.1088/0957-4484/13/2/312
53	Y. C. Ma, Y. Y. Xia, M. W. Zhao, and N. M. Ying, Chem. Phys. Lett. , 2002, 357: 97 doi: 10.1016/S0009-2614(02)00448-7
54	V. V. Simonyan, P. Diep, and J. K. Johnson, J. Chem. Phys. , 1999, 111: 9778 doi: 10.1063/1.480313
55	M. Boustimi, J. Baudon, P. Candori, and J. Robert, Phys. Rev. B , 2002, 65: 155402 doi: 10.1103/PhysRevB.65.155402
56	A. J. Lu and B. C. Pan, Phys. Rev. B , 2005, 71: 165416 doi: 10.1103/PhysRevB.71.165416
57	R. L. Zhou, H. Y. He, and B. C. Pan, Phys. Rev. B , 2007, 75: 113401 doi: 10.1103/PhysRevB.75.113401
58	H. Y. He and B. C. Pan, Physica E , 2008, 40: 542 doi: 10.1016/j.physe.2007.08.015
59	H. Y. He and B. C. Pan, J. Phys. Chem. C , 2008, 112: 18876
60	T. Sato, S. Kitamura, and M. Iwatsuki, J. Vac. Sci. Technol. A , 2000, 18: 960 doi: 10.1116/1.582283
61	H. M. Branz and S. B. Zhang, Mat. Res. Soc. Symp. , 2001, 664: A13.3.1
62	P. H. Zhang, P. E. Lammert, and V. H. Crespi, Phys. Rev. Lett. , 1998, 81: 5346 doi: 10.1103/PhysRevLett.81.5346
63	V. H. Crespi, Phys. Rev. Lett. , 1999, 82: 2908 doi: 10.1103/PhysRevLett.82.2908
64	M. Yoon, S. Han, G. Kim, S. Lee, S. Berber, E. Zosawa, J. Ihm, M. Terrones, F. Banhart, J. C. Charlier, N. Grobert, H. Terrones, P. M. Ajayan, and D. Tomanek, Phys. Rev. Lett. , 2004, 92: 075504 doi: 10.1103/PhysRevLett.92.075504
65	M. Ouyang, J. L. Huang, C. L. Cheung, and C. M. Lieber, Science , 2001, 291: 97 doi: 10.1126/science.291.5501.97
66	H. J. Choi, J. Ihm, S. G. Louie, M. L. Cohen, Phys. Rev. Lett. , 2000, 84: 2917 doi: 10.1103/PhysRevLett.84.2917
67	H. T. Yang, L. F. Yang, J. W. Chen, and J. M. Dong, Phys. Lett. A , 2004, 325: 287 doi: 10.1016/j.physleta.2004.03.051
68	Y. Miyamoto, A. Rubio, S. Berber, M. Yoon, and D. Tomanek, Phys. Rev. B , 2004, 69: 121413(R) doi: 10.1103/PhysRevB.69.121413

[1]	Xiao-Dong Zhang, Kang Liu, Jun-Wei Fu, Hong-Mei Li, Hao Pan, Jun-Hua Hu, Min Liu. Pseudo-copper Ni–Zn alloy catalysts for carbon dioxide reduction to C₂ products[J]. Front. Phys. , 2021, 16(6): 63500-.
[2]	Yunliang Liu, Peiji Deng, Ruqiang Wu, Ramadan A. Geioushy, Yaxi Li, Yixian Liu, Fengling Zhou, Haitao Li, Chenghua Sun. BiVO₄/TiO₂ heterojunction with rich oxygen vacancies for enhanced electrocatalytic nitrogen reduction reaction[J]. Front. Phys. , 2021, 16(5): 53503-.
[3]	Chen Yang, Ying Chen, Dan Liu, Jinfeng Wang, Cheng Chen, Jiemin Wang, Ye Fan, Shaoming Huang, Weiwei Lei. Vertically aligned γ-AlOOH nanosheets on Al foils as flexible and reusable substrates for NH₃ adsorption[J]. Front. Phys. , 2018, 13(4): 138101-.
[4]	Zhong Li, Jia-Dan Li, Lin Zhuang, Rui-Jiang Hong. Minority carrier lifetime evaluation of periphery edge region in high-performance multicrystalline ingot produced by seed-assisted directional solidification[J]. Front. Phys. , 2017, 12(5): 128103-.
[5]	Juan Ren,Ning-Chao Zhang,Peng Wang,Chao Ning,Hong Zhang,Xiao-Juan Peng. Electronic structures and magnetic properties of rare-earth-atom-doped BNNTs[J]. Front. Phys. , 2016, 11(2): 118101-.
[6]	Feng-Bin Liu (刘峰斌), Jing-Lin Li (李景林), Wen-Bin Chen (陈文彬), Yan Cui (崔岩), Zhi-Wei Jiao (焦志伟), Hong-Juan Yan (阎红娟), Min Qu (屈敏), Jie-Jian Di (狄杰建). Geometries and electronic structures of the hydrogenated diamond (100) surface upon exposure to active ions: A first principles study[J]. Front. Phys. , 2016, 11(1): 116804-.
[7]	Qiu Tong（邱桐）,Huang Ji-Ping（黄吉平）. Unprecedentedly rapid transport of single-file rolling water molecules[J]. Front. Phys. , 2015, 10(5): 106102-.
[8]	Xiao-Fei Li, Yi Luo. *Conductivity of carbon-based molecular junctions from ab-initio* methods**[J]. Front. Phys. , 2014, 9(6): 748-759.
[9]	Reshef Tenne. Recent advances in the research of inorganic nanotubes and fullerene-like nanoparticles[J]. Front. Phys. , 2014, 9(3): 370-377.
[10]	Xiao-Dong Li, Hong Zhang, Yong-Jian Tang, Chao-Yang Wang. Adsorption and separation of methane/hydrogen in octaphenylsilsesquioxane based covalently-linked organic-inorganic hybrid framework[J]. Front. Phys. , 2012, 7(4): 453-460.
[11]	Shun-li Yue, Hong Zhang. First principles study on magnetic and electronic properties with rare-earth atoms doped SWCNTs[J]. Front. Phys. , 2012, 7(3): 353-359.
[12]	Zi-jing DING (丁子敬), Yang JIAO (焦扬), Sheng MENG (孟胜). Quantum simulation of molecular interaction and dynamics at surfaces[J]. Front. Phys. , 2011, 6(3): 294-308.
[13]	Di-hua WU (吴迪华), Zhen ZHOU (周震). Recent progress of computational investigation on anode materials in Li ion batteries[J]. Front. Phys. , 2011, 6(2): 197-203.
[14]	Hong ZHANG, Xiao-dong LI, Yong-jian TANG. DFT study of dihydrogen interactions with lithium containing organic complexes C₄H_4-mLi_m and C₅H_5-mLi_m (m = 1, 2)[J]. Front. Phys. , 2011, 6(2): 231-235.
[15]	Guang-cun SHAN (单光存), Wei HUANG (黄维), . Energy band and band-gap properties of deformed single-walled silicon nanotubes[J]. Front. Phys. , 2010, 5(2): 183-187.

Viewed

Full text

Abstract

Cited

Shared

Discussed