Variations of the geometries and band gaps of single-walled carbon nanotubes and the effect of charge injection

Journal of Physical Chemistry B

Volumn 107, Issue 29, 2003, Pages 6924-6931

  Sun, Guangyu ^a,d   Kürti, Jenö ^a,b   Kertesz, Miklos ^a   Baughman, Ray H ^c  

^a GEORGETOWN UNIVERSITY   (United States)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c UNIVERSITY OF TEXAS AT DALLAS   (United States)

^d NATIONAL CANCER INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CHEMICAL BONDS; ENERGY GAP; GRAPHITE; OSCILLATIONS; PROBABILITY DENSITY FUNCTION;

CHARGE INJECTIONS; SINGLE WALLED CARBON NANOTUBES; TUBE DIAMETER;

CARBON NANOTUBES;

EID: 0041703614     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022629p     Document Type: Article

References (40)

1. Iijima, S. Nature 1991, 354, 56.
2. (a) Hamada, N.; Sawada, S.; Oshiyama, A. Phys. Rev. Lett. 1992, 68, 1579.
3. (b) Mintmire, J. W.; White, C. T. Carbon 1995, 33, 893.
4. (c) Saito, R.; Fujita, M.; Dresselhaus, G.; Dresselhaus, M. S. Phys. Rev. B 1992, 46, 1804.
5. (d) Saito, R.; Dresselhaus, G.; Dresselhaus, M. S. Physical Properties of Carbon Nanotubes; Imperial College Press: London, 1998.
6. Kanamitsu, K.; Saito, S. J. Phys. Soc. Jpn. 2002, 71, 483.
7. Blase, X.; Benedict, L. X.; Shirley, E. L.; Louie, S. G. Phys. Rev. Lett. 1994, 72, 1878.
8. Reich, S.; Thomsen, C.; Ordejon, P. Phys. Rev. B 2002, 65, 155411.
9. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
10. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
11. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169.
12. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, R558.
13. Sun, G.; Kürti, J.; Rajczy, P.; Kertesz, M.; Hafner, J.; Kresse, G. J. Mol. Struct.: THEOCHEM 2003, 624, 37.
14. Kresse, G.; Furthmüller, J.; Hafner, J. Europhys Lett. 1995, 32, 729.
15. Kürti, J.; Kresse, G.; Kuzmany, H. Phys. Rev. B 1998, 58, 8869.
16. Milnera, M.; Kürti, J.; Hulman, M.; Kuzmany, H. Phys. Rev. Lett. 2000, 84, 1324.
17. (a) Sun, G.; Kertesz, M.; Kürti, J.; Baughman, R. H. Polym. Mater. Sci. Eng. 2000, 83, 519.
18. (b) Sun, G.; Kürti, J.; Kertesz, M.; Baughman, R. H. J. Am. Chem. Soc. 2002, 124, 15076.
19. Kresse, G. Private communication.
20. Sun, G.; Kürti, J.; Kertesz, M.; Baughman, R. H. J. Chem. Phys. 2002, 117, 7691.
21. Choi, C. H.; Kertesz, M.; Karpfen, A. J. Chem. Phys. 1997, 107, 6712
22. Wells, A. F. Structural Inorganic Chemistry; Clarendon Press: Oxford, U.K., 1987; p 922.
23. Dresselhaus, M. S.; Dresselhaus, G.; Ecklund, P. C. Science of Fullerenes and Nanotubes; Academic Press: San Diego, CA, 1996; Chapter 13.
24. Haddon, R. C.; Scott, L. T. Pure Appl. Chem. 1986, 58, 137.
25. Niyogi, S.; Hamon, M. A.; Hu, H.; Zhao, B.; Bhowmik, P.; Sen, R.; Itkis, M. E.; Haddon, R. C. Acc. Chem. Res. 2002, 35, 1105.
26. Cao, J. X.; Yan, X. H.; Ding, J. W.; Wang, D. L. J. Phys. Condens. Matter 2001, 13, L217.
27. Kane, C. L.; Mele, E. J. Phys. Rev. Lett. 1997, 78, 1932.
28. Kleiner, A.; Eggert, S. Phys. Rev. B 2001, 63, 073408.
29. Kleiner, A.; Eggert, S. Phys. Rev. B 2001, 64, 113402.
30. O'Connell, M. J.; Bachilo, S. M.; Huffman, C. B.; Moore, V. C.; Strano, M. S.; Haroz, E. H.; Rialon, K. L.; Boul, P. J.; Noon, W. H.; Kittrell, C.; Ma, J. P.; Hauge, R. H.; Weisman, R. B.; Smalley, R. E. Science 2002, 297, 593.
31. Hamon, M. A.; Itkis, M. E.; Niyogi, S.; Alvaraez, T.; Kuper, C.; Menon, M.; Haddon, R. C. J. Am. Chem. Soc. 2001, 123, 11292.
32. Itkis, M. E.; Niyogi, S.; Meng, M. E.; Hamon, M. A.; Hu, H.; Haddon, R. C. Nano Lett. 2002, 2, 155.
33. Baughman, R. H.; Cui, C. X.; Zakhidov, A. A.; Iqbal, Z.; Barisci, J. N.; Spinks, G. M.; Wallace, G. G.; Mazzoldi, A.; De Rossi, D.; Rinzler, A. G.; Jaschinski, O.; Roth, S.; Kertesz, M. Science 1999, 284, 1340.
34. (a) Kertesz, M.; Vonderviszt, F.; Pekker, S. Chem. Phys. Lett. 1982, 90, 430.
35. (b) Hong, S. Y.; Kertesz, M. Phys. Rev. Lett. 1990, 64, 3031.
36. (a) Kertesz, M.; Vonderviszt, F.; Hoffmann, R. In Intercalated Graphites; Dresselhaus, M. S., Dresselhaus, G., Gischer, J. E., Moran, M. J., Eds.; North-Holland: New York, 1983; p 141.
37. (b) Kertesz, M. Mol. Cryst. Liq. Cryst. 1985, 126, 103.
38. (a) Gartstein, Y. N.; Zakhidov, A.; Baughman, R. H. Phys. Rev. Lett. 2002, 89, 045503.
39. (b) Gartstein, Y. N.; Zakhidov, A.; Baughman, R. H. Phys. Rev. B, submitted for publication.
40. (c) Verissimo-Alves, M.; Koiller, B.; Chacham, H.; Capaz, R. B. Phys. Rev. B 2003, 67, 161401.