The structural, energetic and electronic properties of doped carbon nanotubes by encapsulation of MCp2 (M = Fe, Co, Ni): A theoretical investigation

Chemical Physics Letters

Volumn 512, Issue 1-3, 2011, Pages 81-86

  Cao, Fenglei ^a,b   Ren, Wei ^c   Xu, Xianfang ^a   Tong, Ye Xiang ^a   Zhao, Cunyuan ^a  

^a SUN YAT SEN UNIVERSITY   (China)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

^c UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DFT METHOD; DOPING EFFECTS; NANOTUBE AXIS; NON-COVALENT FUNCTIONALIZATION; THEORETICAL INVESTIGATIONS;

BINDING ENERGY; CARBON NANOTUBES; CHARGE TRANSFER; ION EXCHANGE; ORGANOMETALLICS;

ELECTRONIC PROPERTIES;

EID: 80051475646     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.07.010     Document Type: Article

References (41)

1. M.S. Dresselhaus, G. Dressehaus, and P.C. Eklund Science of Fullerenes and Carbon Nanotubes 1996 Academic Press New York
2. R. Saito, G. Dressehaus, and M.S. Dresselhaus Physics Properties of Carbon Nanotubes 1998 World Scientific New York
3. A.K. Feldman, M.L. Steigerwald, X.F. Guo, and C. Nuckolls Acc. Chem. Res. 41 2008 1731
4. P.-W. Chiu, M. Kaempgen, and S. Roth Phys. Rev. Lett. 92 2004 246802
5. W. Ren, J.R. Reimers, N.S. Hush, Y. Zhu, J. Wang, and H. Guo J. Phys. Chem. C 111 2007 3700
6. V.N. Khabashesku, W.E. Billups, and J.L. Margrave Acc. Chem. Res. 35 2002 1087
7. X. Lu, and Z. Chen Chem. Rev. 105 2005 3643
8. D. Tasis, N. Tagmatarchis, A. Bianco, and M. Prato Chem. Rev. 106 2006 1105
9. C. Menard-Moyon, N. Izard, E. Doris, and C. Mioskowski J. Am. Chem. Soc. 128 2006 6552
10. C. Menard-Moyon, F. Dumas, E. Doris, and C. Mioskowski J. Am. Chem. Soc. 128 2006 14764
11. P.G. Collins, K. Bradley, M. Ishigami, and A. Zettl Science 287 2000 1801
12. J. Kong, N.R. Franklin, C.W. Zhou, M.G. Chapline, S. Peng, K. Cho, and H.J. Dai Science 287 2000 622
13. R.J. Chen, Y. Zhang, D. Wang, and H.J. Dai J. Am. Chem. Soc. 123 2001 3838
14. J. Zhao, J.P. Lu, J. Han, and C.-K. Yang Appl. Phys. Lett. 82 2003 3746
15. T. Takenobu Nat. Mater. 2 2003 683
16. M.J. O'Connell, E.E. Eibergen, and S.K. Doorn Nat. Mater. 4 2005 412
17. M. Shiraishi, S. Swaraj, T. Takenobu, Y. Iwasa, M. Ata, and W.S. Unger Phys. Rev. B 71 2005 125419
18. Y. Li, T. Kaneko, J. Kong, and R. Hatakeyama J. Am. Chem. Soc. 131 2009 3412
19. L.-J. Li, A.N. Khlobystov, J.G. Wiltshire, G.A.D. Briggs, and R.J. Nicholas Nat. Mater. 4 2005 481
20. J. Lu Phys. Rev. Lett. 93 2004 116804
21. R.G.A. Veiga, and R.H. Miwa Phys. Rev. B 73 2006 245422
22. L. Guan, K. Suenaga, T. Okazaki, Z. Shi, Z. Gu, and S. Iijima J. Am. Chem. Soc. 129 2007 8954
23. L. Guan, K. Suenaga, Z. Shi, Z. Gu, and S. Iijima Nano Lett. 7 2007 1532
24. G.-H. Jeong Phys. Rev. B 68 2003 075410
25. V.M. García-Suárez, J. Ferrer, and C. Lambert J. Phys. Rev. Lett. 96 2006 106804
26. B. Wang, Y. Zhu, W. Ren, J. Wang, and H. Guo Phys. Rev. B 75 2007 235415
27. B.W. Smith, M. Monthioux, and D.E. Luzzi Nature 396 1998 323
28. R. Kitaura, N. Imazu, K. Kobayashi, and H. Shinohara Nano Lett. 8 2008 693
29. R. Lv, F. Kang, J. Gu, X. Gui, J. Wei, K. Wang, and D. Wu Appl. Phys. Lett. 93 2008 223105
30. S. Yuan, X. Wang, P. Li, F. Li, and S. Yuan J. Appl. Phys. 104 2008 054310
31. L. Guan, Z. Shi, M. Li, and Z. Gu Carbon 43 2005 2780
32. H. Shiozawa Phys. Rev. B 77 2008 153402
33. V.M. García-Suárez, J. Ferrer, and C.J. Lambert Phys. Rev. B. 74 2006 205421
34. E.L. Sceatsa, and J.C. Green J. Chem. Phys. 125 2006 154704
35. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
36. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
37. B.J. Delley Chem. Phys. 113 2000 7756
38. F. Tournus, and J.-C. Charlier Phys. Rev. B 71 2005 165421
39. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
40. F.L. Cao, W. Ren, X.Y. Xu, Y.M. Ji, and C.Y. Zhao Phys. Chem. Chem. Phys. 11 2009 6256
41. F.L. Cao, X.Y. Xu, W. Ren, and C.Y. Zhao J. Phys. Chem. C 114 2010 970