Chemisorption of NO2 on carbon nanotubes

Journal of Physical Chemistry B

Volumn 107, Issue 35, 2003, Pages 9363-9369

  Yim, Wai Leung ^a   Gong, X G ^a,b,c   Liu, Zhi Feng ^a  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

^b INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^c FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON NANOTUBES; CHEMISORPTION; DESORPTION; GRAPHITE; OLEFINS; PROBABILITY DENSITY FUNCTION;

ENDOTHERMIC; EXOTHERMIC; GRAPHENE SHEET; SINGLE WALLED CARBON NANOTUBE;

NITROGEN COMPOUNDS;

EID: 0141459856     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027647l     Document Type: Article

References (63)

1. Iijima, S. Nature (London) 1991, 354, 56.
2. Dresselhaus, M. S.; Dresselhaus, G. F.; Eklund, P. C. Science of Fullerenes and Carbon Nanotubes; Academic Press: New York, 1996.
3. Dillon, A. C.; Jones, K. M.; Bekkedahl, T. A.; Kiang, C. H.; Bethune, D. S.; Heben, M. J. Nature 1997, 386, 377.
4. Liu, C.; Fan, Y. Y.; Liu, M.; Cong, H. T.; Cheng, H. M.; Dresselhaus, M. S. Science 1999, 286, 1127.
5. Ye, Y.; Ahn, C. C.; Witham, C.; Fultz, B.; Liu, J.; Rinzler, A. G.; Colbert, D.; Smith, K. A.; Smalley, R. E. Appl. Phys. Lett. 1999, 74, 2307.
6. Wang, Q. Y.; Johnson, J. K. J. Chem. Phys. 1999, 110, 577.
7. Simonyan, V. V.; Diep, P.; Johnson, J. K. J. Chem. Phys. 1999, 111, 9778.
8. Schlapbach, L.; Zuttel, A., Nature (London) 2001, 414, 353.
9. Chan, S. P.; Chen, G.; Gong, X. G.; Liu, Z. F. Phys. Rev. Lett. 2001, 87, 5502.
10. Collins, P. G.; Bradley, K.; Ishigami, M.; Zettl, A. Science 2000, 287, 1801.
11. Bradley, K.; Jhi, S. H.; Collins, P. G.; Hone, J.; Cohen, M. L.; Louie, S. G.; Zettl, A. Phys. Rev. Lett. 2000, 85, 4361.
12. Zhu, X. Y.; Lee, S. M.; Lee, Y. H.; Frauenheim, T. Phys. Rev. Lett. 2000, 85, 2757.
13. Jhi, S.-H.; Louie, S. G.; Cohen, M. L. Phys. Rev. Lett. 2000, 85, 1710.
14. Sorescu, D. C.; Jordan, K. D.; Avouris, P. J. Phys. Chem. 2001, 105, 11227.
15. Mann, D. J.; Hase, W. L. Phys. Chem. Chem. Phys. 2001, 3, 4376.
16. Mawhinney, D. B.; Naumenko, V.; Kuznetsova, A.; Yates, J. T.; Jr.; Liu, J.; Smalley, R. E. J. Am. Chem. Soc. 2000, 122, 2383.
17. Kuznestova, A.; Popova, I.; Yates, J. T., Jr., Bronikowski, M. J.; Huffman, C. B.; Liu, J.; Smalley, R. E.; Hwu, H. H.; Chen, J. G. J. Am. Chem. Soc. 2001, 123, 10699.
18. Lu, X.; Zhang, L. L.; Xu, X.; Wang, N. Q.; Zhang, Q. E. J. Phys. Chem. B 2002, 106, 2136.
19. Kong, J.; Franklin, N. R.; Zhou, C.; Chapline, M. G.; Peng, S.; Cho, K.; Dai, H. Science 2000, 287, 622.
20. Peng, S.; Cho, K. J. Nanotechnology 2000, 11, 57.
21. Chang, H. N.; Lee, J. D.; Lee, S. M.; Lee, Y. H. Appl. Phys. Lett. 2001, 79, 3863.
22. Zhao, J. J.; Buldum, A.; Han, J.; Lu, J. P. Nanotechnology 2002, 13, 195.
23. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry, 3rd ed.; John Wiley & Sons: New York, 1972.
24. Baldock, H.; Levy, N.; Scaife, C. W. J. Chem. Soc. 1949, 2627.
25. Brank, C. D.; Stevens, I. D. R. J. Chem. Soc. 1958, 629.
26. Schechter, H. Rec. Chem. Prog. 1964, 25, 55.
27. Golding, P.; Powell, J. L.; Ridd, J. H. J. Chem. Soc., Perkin Trans. 2 1996, 813.
28. Pryor, W. A.; Lightsey, J. W.; Church, D. F. J. Am. Chem. Soc. 1982, 104, 6685.
29. Giamalva, D. H.; Kenion, G. B.; Church, D. F.; Pryor, W. A. J. Am. Chem. Soc. 1987, 109, 7059.
30. Sprung, J. L.; Akimoto, H.; Pitts, J. N. J. Am. Chem. Soc. 1971, 93, 4358.
31. Akimoto, H.; Sprung, J. L.; Pitts, J. N. J. Am. Chem. Soc. 1972, 94, 4850.
32. Sprung, J. L.; Akimoto, H.; Pitts, J. N. J. Am. Chem. Soc. 1974, 96, 6549.
33. Sjövall, P.; So, S. K.; Kasemo, B.; Ranchy, R.; Ho, W. Chem. Phys. Lett. 1990, 171, 125.
34. Moreh, R.; Finkelstein, Y.; Shechter, H. Phys. Rev. B 1996, 53, 16006.
35. Cohen, M. L. Phys. Rep. 1984, 110, 293.
36. Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471.
37. Remler, D. K.; Madden, P. A. Mol. Phys. 1990, 70, 921.
38. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169.
39. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 47, 558.
40. Kresse, G.; Hafner, J. Phys. Rev. B 1991, 49, 14251.
41. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15.
42. Tuckerman, M. E.; Ungar, P. J.; Vonrosenvinge, T.; Klein, M. L. J. Phys. Chem. 1996, 100, 12878.
43. Marx, D.; Hutter, J. In Modern methods and algorithms of quantum chemistry; Grotendorst, J., Ed.; NIC Series; John von Neumann Institute for Computing: Jülich, 2000; Vol. 1, p 301.
44. Perdew, J. P.; Zunger, A. Phys. Rev. B 1981, 23, 5048.
45. Perdew, J. P. In Electronic Structure of Solids '91; Ziesche, P., Eschrig, H., Eds.; Academie Verlag: Berlin, 1991; p 11.
46. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
47. Kresse, G.; Hafner, J. J. Phys. Condens. Matter 1994, 6, 8245.
48. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115.
49. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
50. Mills, G.; Jónsson, H.; Schenter, G. K. Surf. Sci. 1995, 324, 305.
51. Jónsson, H.; Mills, G.; Jacobsen, K. W. In Classical and Quantum Dynamics in Condensed Phase Simulations; Berne, B. J., Ciccotti, G., Coker, D. F., Eds.; World Scientific: London, 1998; p 385.
52. Jónsson, H. Annu. Rev. Phys. Chem. 2000, 51, 623.
53. Henkelman, G.; Uberuaga, B.; Jónsson, H. J. Chem. Phys. 2000, 113, 9901.
54. Henkelman, G.; Jónsson, H. J. Chem. Phys. 2000, 113, 9978.
55. Morrison, R. T.; Boyd, R. N. Organic Chemistry, 6th ed.; Prentice Hall: Englewood Cliffs, NJ, 1992; p 568.
56. McKee, M. L. J. Phys. Chem. 1989, 93, 7365.
57. McKee, M. L. J. Am. Chem. Soc. 1995, 117, 1629.
58. Stirling, A.; Pápai, I.; Mink, J.; Salahub, D. R. J. Chem. Phys. 1994, 100, 2910.
59. Liu, R.; Zhou, X. J. Phys. Chem. 1993, 97, 4413.
60. Bauschlicher, C. W., Jr.; Komornicki, A.; Roos, B. J. Am. Chem. Soc. 1983, 105, 745.
61. Harcourt, R. D.; Skrezenek, F. L. J. Phys. Chem. 1990, 94, 7007.
62. Domenech, J. L.; Andrews, A. M.; Belov, S. P.; Fraser, G. T.; Lafferty, W. J. J. Chem. Phys. 1994, 100, 6993.
63. Vosper, A. J. J. Chem. Soc. 1970, 625.