Calculating hydrogen absorption on single wall carbon nanotubes with different radius using the first principle

Advanced Materials Research

Volumn 472-475, Issue , 2012, Pages 1465-1468

  Chen, Aqing ^a   Shao, Qingyi ^b   Wang, Li ^a  

^a Leshan Vocational and Technical College   (China)

^b SOUTH CHINA NORMAL UNIVERSITY   (China)

Author keywords

Binding energy; Density functional theory; Distorted SWNTs; Hydrogen storage

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDROGEN STORAGE; MANUFACTURE; NANOTUBES;

DISTORTED SWNTS; FIRST PRINCIPLES; HYDROGEN ABSORPTION; SINGLE CARBON NANOTUBE; SINGLE WALL;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 84863235971     PISSN: 10226680     EISSN: None     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/amr.472-475.1465     Document Type: Conference Paper

References (25)

1. S. Iijima: Nature, 354(1991), p56-57.
2. S. P. Chan, G. Chen, X. G. Gong, et al: Phys Rev Lett, 87 (2001), p205502.
3. Y. Yürüm, A. Taralp, V. T. Nejat: International Journal of Hydrogen Energy, 34: (2009), p3784-3798.
4. D. P. Cao, W. C. Wang: International Journal of Hydrogen Energy, 32 (2007),1939-1942.
5. W. BauschlicherCharles, Jr.: NanoLett, 1 (2001), p223-226.
6. C. W. Bauschlicher, C. R. So: NanoLett, 2 (2002), p337-341.
7. T. Yildirim, O. Gülseren, and S. Ciraci: Phys Rev B, 64 (2001), p075404.
8. Y. C. Ma, Y. Y. Xia, M. W. Zhao, et al: Phys Rev B, 63 (2001), p115422.
9. J. S. Arellano, Molina L M, Rubio A, López M J, et al. Interaction of molecular and atomic hydrogen with (5, 5) and (6, 6) single-wall carbon nanotubes, J. Chem. Phys.,2002, 117: 2281.
10. Y. Okamoto, Y. Miyamoto: J PhysChem B, 105 (2001), p3470-3474.
11. S. Dag, Y. Ozturk, S. Ciraci, et al: PhysRev B, 72 (2005), p155404.
12. L. Chen, Y. M. Zhang, N. Koratkar: Phys Rev B, 77 (2008),033405.
13. A. W. C. van den Berg, S. T. Bromley, J. C. Wojdel, et al: Phys. Rev. B, 72 (2005), 155428.
14. J. S. Arellano, L. M. Molina, A. Rubio, et al: J. Chem. Phys. 117(2002), p2281.
15. P. Lazic, Ž. Crljen, R. Brako, and B. Gumhalter: Phys. Rev. B72 (2005), p245407.
16. A. J. Du and S. C. Smith: Nanotechnology, 16 (2005), p2118.
17. S. Rigamonti and C. R. Proetto: Phys. Rev. B, 73 (2006), p235-319.
18. A. K. Rappe, C. J. Casewit, K. S. Colwell, et al: J Am ChemSoc, 114 (1992), p10024-10035.
19. N. Yao, V. Lordi: J Appl Phys, 1998, 84: 1939-1943.
20. B. Delley: J Chem Phys,(1990)92508.
21. B. Delley: J Chem Phys, 113(2000), p7756-7764.
22. J. P. Perdew, Y. Wang: Phys Rev B., 45 (1992), p13244-13249.
23. E. Rangel, G. Ruiz-Chavarria, L. F. Magana, et al: Physics Letters A, 373 (2009), p2588-2591.
24. D. Henwood and J. David Carey: Phys Rev B, 75 (2007), p245413.
25. S. S. Han and H. M. Lee: Carbon, 42 (2004), p2169-2177.