Three-dimensional polymeric structures of single-wall carbon nanotubes

Journal of Chemical Physics

Volumn 140, Issue 20, 2014, Pages

  Lian, Chao Sheng ^a   Wang, Jian Tao ^a  

^a INSTITUTE OF PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON NANOTUBES; CRYSTALLINE MATERIALS; ELECTRONIC PROPERTIES; HYDROSTATIC PRESSURE; TUBES (COMPONENTS); VAN DER WAALS FORCES;

AB INITIO CALCULATIONS; BONDING CONFIGURATIONS; CROSS-SECTION DISTORTIONS; CRYSTALLINE PHASIS; POLYMERIC STRUCTURES; SEMI-CONDUCTING PROPERTY; VAN DER WAALS; ZIG-ZAG NANOTUBES;

POLYMERS;

EID: 84901787435     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4879661     Document Type: Article

References (43)

1. S. Iijima, Nature (London) 354, 56 (1991); 10.1038/354056a0
2. S. Iijima and T. Ichihashi, Nature (London) 363, 603 (1993). 10.1038/363603a0
3. M. Núñez-Regueiro, L. Marques, J-L. Hodeau, O. Béthoux, and M. Perroux, Phys. Rev. Lett. 74, 278 (1995). 10.1103/PhysRevLett.74.278
4. L. A. Chernozatonskii, N. R. Serebryanaya, and B. N. Mavrin, Chem. Phys. Lett. 316, 199 (2000). 10.1016/S0009-2614(99)01288-9
5. S. Yamanaka, A. Kubo, K. Inumaru, K. Komaguchi, N. S. Kini, T. Inoue, and T. Irifune, Phys. Rev. Lett. 96, 076602 (2006). 10.1103/PhysRevLett.96.076602
6. J. P. Salvetat, G. A. D. Briggs, J. M. Bonard, R. R. Bacsa, A. J. Kulik, T. Stöckli, N. A. Burnham, and L. Forró, Phys. Rev. Lett. 82, 944 (1999). 10.1103/PhysRevLett.82.944
7. N. Hamada, S. I. Sawada, and A. Oshiyama, Phys. Rev. Lett. 68, 1579 (1992). 10.1103/PhysRevLett.68.1579
8. R. Saito, M. Fujita, G. Dresselhaus, and M. S. Dresselhaus, Appl. Phys. Lett. 60, 2204 (1992). 10.1063/1.107080
9. S. A. Chesnokov, V. A. Nalimova, A. G. Rinzler, R. E. Smalley, and J. E. Fischer, Phys. Rev. Lett. 82, 343 (1999). 10.1103/PhysRevLett.82.343
10. J. Tang, L. C. Qin, T. Sasaki, M. Yudasaka, A. Matsushita, and S. Iijima, Phys. Rev. Lett. 85, 1887 (2000). 10.1103/PhysRevLett.85.1887
11. J. A. Elliott, J. K. W. Sandler, A. H. Windle, R. J. Young, and M. S. P. Shaffer, Phys. Rev. Lett. 92, 095501 (2004). 10.1103/PhysRevLett.92.095501
12. V. N. Khabashesku, Z. N. Gu, B. Brinson, J. L. Zimmerman, J. L. Margrave, V. A. Davydov, L. S. Kashevarova, and A. V. Rakhmanina, J. Phys. Chem. B 106, 11155 (2002). 10.1021/jp025983w
13. A. Merlen, P. Toulemonde, S. L. Floch, G. Montagnac, T. Hammouda, O. Marty, and A. S. Miguel, Carbon 47, 1643 (2009). 10.1016/j.carbon.2009.02.014
14. M. Popov, M. Kyotani, R. J. Nemanich, and Y. Koga, Phys. Rev. B 65, 033408 (2002). 10.1103/PhysRevB.65.033408
15. Z. W. Wang, Y. S. Zhao, K. Tait, X. Z. Liao, D. Schiferl, C. S. Zha, R. T. Downs, J. Qian, Y. T. Zhu, and T. D. Shen, Proc. Natl. Acad. Sci. U.S.A. 101, 13699 (2004). 10.1073/pnas.0405877101
16. P. Tangney, R. B. Capaz, C. D. Spataru, M. L. Cohen, and S. G. Louie, Nano Lett. 5, 2268 (2005). 10.1021/nl051637p
17. L.-M. Peng, Z. L. Zhang, Z. Q. Xue, Q. D. Wu, Z. N. Gu, and D. G. Pettifor, Phys. Rev. Lett. 85, 3249 (2000); 10.1103/PhysRevLett.85.3249
18. Z. K. Tang, J. P. Zhai, Y. Y. Tong, X. J. Hu, R. Saito, Y. J. Feng, and P. Sheng, Phys. Rev. Lett. 101, 047402 (2008). 10.1103/PhysRevLett.101.047402
19. H. S. Domingos, J. Phys.: Condens. Matter 16, 9083 (2004). 10.1088/0953-8984/16/49/023
20. T. Yildirim, O. Gülseren, C. Kilic, and S. Ciraci, Phys. Rev. B 62, 12648 (2000). 10.1103/PhysRevB.62.12648
21. S. F. Braga and D. S. Galvão, Chem. Phys. Lett. 419, 394 (2006). 10.1016/j.cplett.2005.11.115
22. L. Chernozatonskii, E. Richter, and M. Menon, Phys. Rev. B 65, 241404 (R) (2002); 10.1103/PhysRevB.65.241404
23. Z. S. Zhao, B. Xu, L. M. Wang, X. F. Zhou, J. L. He, Z. Y. Liu, H. T. Wang, and Y. J. Tian, ACS Nano 5, 7226 (2011); 10.1021/nn202053t
24. M. Hu, Z. S. Zhao, F. Tian, A. R. Oganov, Q. Q. Wang, M. Xiong, C. Z. Fan, B. Wen, J. L. He, D. L. Yu, H. T. Wang, B. Xu, and Y. J. Tian, Sci. Rep. 3, 1331 (2013). 10.1038/srep01331
25. H. S. Cheng, G. P. Pez, and A. C. Cooper, Nano Lett. 3, 585 (2003). 10.1021/nl025970u
26. X. Blase, L. X. Benedict, E. L. Shirley, and S. G. Louie, Phys. Rev. Lett. 72, 1878 (1994). 10.1103/PhysRevLett.72.1878
27. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); 10.1103/PhysRevLett.45.566
28. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). 10.1103/PhysRevB.23.5048
29. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
30. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
31. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
32. P. Ravindran, L. Fast, P. A. Korzhavyi, B. Johansson, J. Wills, and O. Eriksson, J. Appl. Phys. 84, 4891 (1998). 10.1063/1.368733
33. S. Q. Wang and H. Q. Ye, J. Phys. Condens. Matter. 15, 5307 (2003). 10.1088/0953-8984/15/30/312
34. H. Y. Niu, X. Q. Chen, S. B. Wang, D. Z. Li, W. L. Mao, and Y. Y. Li, Phys. Rev. Lett. 108, 135501 (2012). 10.1103/PhysRevLett.108.135501
35. See supplementary material at http://dx.doi.org/10.1063/1.4879661 E-JCPSA6-140-032421 for the structural details of all the studied P-SWNT phases in this work.
36. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Clarendon, Oxford, 1956).
37. R. Hill, Proc. Phys. Soc. A 65, 349 (1952). 10.1088/0370-1298/65/5/307
38. I. Cabria, J. W. Mintmire, and C. T. White, Phys. Rev. B 67, 121406 (R) (2003). 10.1103/PhysRevB.67.121406
39. K. Kanamitsu and S. Saito, J. Phys. Soc. Jpn. 71, 483 (2002). 10.1143/JPSJ.71.483
40. J. Kürti, V. Zólyomi, M. Kertesz, G. Sun, R. H. Baughman, and H. Kuzmany, Carbon 42, 971 (2004). 10.1016/j.carbon.2003.12.029
41. A. Kis, G. Csányi, J.-P. Salvetat, T. N. Lee, E. Couteau, A. J. Kulik, W. Benoit, J. Brugger, and L. Forró, Nat. Mater. 3, 153 (2004). 10.1038/nmat1076
42. S. Scandolo, M. Bernasconi, G. L. Chiarotti, P. Focher, and E. Tosatti, Phys. Rev. Lett. 74, 4015 (1995). 10.1103/PhysRevLett.74.4015
43. J. T. Wang, C. F. Chen, and Y. Kawazoe, Phys. Rev. Lett. 106, 075501 (2011). 10.1103/PhysRevLett.106.075501