Structural and molecular electronic properties of B-N ring doped single-wall carbon nanotubes

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 28, Issue 3, 2005, Pages 296-308

  Malcioǧlu, Osman Bariş ^a   Taşci, Emre ^a   Erkoç, Şakir ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

AM1 method; BN doped nanotubes; Carbon nanotubes; DFT method

Indexed keywords

CARBON NANOTUBES; ELECTRONIC PROPERTIES; MOLECULAR STRUCTURE; NITRIDES; PHOTOLITHOGRAPHY; POLARIZATION; PROBABILITY DENSITY FUNCTION;

AM 1 METHOD; BN DOPED NANOTUBES; DFT METHOD; GRAPHENE PLANE;

BORON;

EID: 21244469892     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2005.03.023     Document Type: Article

References (31)

1. S. Iijima Nature 354 1991 56
2. R. Saito, G. Dresselhaus, and M.S. Dresselhaus Physical Properties of Carbon Nanotubes 1998 Imperial College Press Singapore
3. M. Menon, and D. Srivastava Phys. Rev. Lett. 79 1997 4453
4. X. Blase, J.-C. Charlier, A. De Vita, and R. Car Appl. Phys. Lett. 70 1997 197
5. M. Ishigami, S. Aloni, A. Zettl, Scanning tunneling microscopy/ spectroscopy and related techniques, 12th International Conference 94, 2003.
6. S. Erkoc J. Mol. Struct. (Theochem.) 542 2001 89
7. Y. Chen, J. Zou, S.J. Campbell, and G. Le Caer Appl. Phys. Lett. 84 2004 2430
8. S. Erkoc J. Mol. Struct. (Theochem.) 684 2001 117
9. R.S. Lee, H.J. Kim, J.E. Fischer, A. Thess, and R.E. Smalley Nature (Lett.) 388 1997 255
10. E. Borowiak-Palen, T. Pichler, G.G. Fuentes, A. Graff, R.J. Kalenczuk, M. Knupfer, and J. Fink AIP Conf. Proc. 685 2003 374
11. W.-Q. Han, W. Mickelson, J. Cumings, and A. Zettl Appl. Phys. Lett. 81 2002 1110
12. R. Ma, and Y. Bando Sci. Technol. Adv. Mat. 4 2003 403
13. L. Hultman, S. Stafstrom, Z. Czigany, J. Neidhart, N. Hellgren, I.F. Brunell, K. Suenaga, and C. Colliex Phys. Rev. Lett. 87 2001 225503
14. B. Wei, R. Spolenak, P. Kohler-Redlich, M. Rühle, and E. Arzt Appl. Phys. Lett. 74 1999 3149
15. M. Terrones, P.M. Ajayan, X. Blase, W. Blau, W. Blau, D.L. Carroll, J.C. Charlier, R. Czerw, B. Foley, N. Grobert, R. Kamalakaran, Ph. Kohler-Redlich, M. Rühle, T. Seeger, H. Terrones, Electronic Properties of Molecular Nanostructures, American Instute of Physics, 2001, p. 212.
16. J. Yu, J. Ahn, S.F. Yoon, Q. Zhang, Rusli, B. Gan, K. Chew, M.B. Yu, X.D. Bai, E.G. Wang, Appl. Phys. Lett. 77 (2000) 1949.
17. J.-X. Zhao, B.-Q. Dai, Mater. Chem. Phys., in press, doi:10.1016/j. matchemphys.2003.10.018.
18. E.J. Mele, P. Kral, and D. Tomanek Phys. Rev. Lett. 88 2002 056803
19. E.J. Mele, and P. Kral Phys. Rev. Lett. 88 2002 056803
20. J. Cumings, and A. Zettl Solid State Commun. 129 2004 661
21. V. Meunier, C. Roland, J. Bernholc, and M.B. Nardelli Appl. Phys. Lett. 81 2002 46
22. N.L. Allinger J. Am. Chem. Soc. 99 1977 8127
23. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart J. Am. Chem. Soc. 107 1985 3902
24. C.C.J. Roothan Rev. Mod. Phys. 23 1951 69
25. P. Fletcher Practical Methods of Optimization 1990 Wiley New York
26. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
27. A.D. Becke J. Chem. Phys. 98 1993 5648
28. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
29. W.J. Hehre, R.F. Stewart, and J.A. Pople J. Chem. Phys. 51 1969 2657
30. HyperChem(TM), Hypercube, Inc., 1115 NW 4th Street, Gainesville, FL 32601, USA.
31. J.W. Kang, and H.J. Hwang Carbon 42 2004 3018