Density functional study on the electronic structures of the hydrogen-adsorbed armchair carbon nanotube

Acta Chimica Sinica

Volumn 63, Issue 7, 2005, Pages 581-586

  Zhang, Yong Fan ^a,b   Li, Yi ^a,b   Jia, Gui Xiao ^a   Li, Jun Qian ^a,b  

^a FUZHOU UNIVERSITY   (China)

^b FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Band structure; Carbon nanotube; Density functional theory; Transport property

Indexed keywords

EID: 33750530147     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. Schlapbach, L.; Zutteil, A. Nature 2001, 414, 353.
2. Liu, C.; Fan, Y. Y.; Lu, M.; Liu, H.; Cong, H. T.; Cheng, H. M.; Dresselhaus, M. S. Science 1999, 286, 1127.
3. Chen, P.; Wu, X.; Lin, J.; Tan, K. I. Science 1999, 285, 91.
4. Rafii-Tabar, H. Phys. Rep. 2004, 390, 235.
5. Lee, S. M.; Lee, Y. H. Appl. Phys. Lett. 2000, 76, 2877.
6. Lee, S. M.; An, K. H.; Lee, Y. H.; Seifert, G.; Frauencheim, T. J. Am. Chem. Soc. 2001, 123, 5059.
7. Stojkovic, D.; Zhang, P.; Lammert, P. E.; Crespi, V. H. Phys. Rev. B 2003, 68, 195406.
8. Wang, Q.; Johnson, J. K. J. Phys. Chem. B 1999, 103, 4809.
9. Rzepka, M.; Lamp, P.; Casa-Lillo, M. A. J. Phys. Chem. B 1998, 102, 10894.
10. Darkrim, F.; Levesque, D. J. Phys. Chem. B 2000, 104, 6773.
11. Zhang, M.-X.; Zhang, Y.-F.; Li, J.-Q. Chin. J. Struct. Chem. 2003, 22, 447 (in Chinese).
12. Bauschlicher, C. W. Jr. Chem. Phys. Lett. 2000, 322, 237.
13. Bauschlicher, C. W. Jr. Nano Lett. 2001, 1, 223.
14. Froudakis, G. E. Nano Lett. 2001, 1, 179.
15. Froudakis, G. E. J. Phys.: Condens. Matter 2002, 14, R453.
16. Li, J.-Q.; Zhang, Y.-F.; Zhang, M.-X. Chem. Phys. Lett. 2002, 364, 328.
17. Li, J.-Q.; Zhang, Y.-F.; Zhang, M.-X. Chem. Phys. Lett. 2002, 364, 338.
18. Lu, G.; Scudder, H.; Kioussis, N. Phys. Rev. B 2003, 68, 205416.
19. Saunders, V. R.; Dovesi, R.; Roetti, C.; Causa, M.; Harrison, N. M.; Orlando, R.; Zicovich-Wilson, C. M. CRYSTAL98 User's Manual, University of Torino, Torino, 1998.
20. Dresselhaus, M. S.; Dresselhaus, G.; Eklund, P. C. Science of Fullerenes and Carbon Nanotubes, Academic, San Diego, 1996.
21. Zhang, Y.-F.; Li, J.-Q.; Zhang, M.-X.; Zhou, L.-X. Acta Chim. Sinica 2002, 60, 272 (in Chinese).