Density functional study of adsorption of molecular hydrogen on graphene layers

Journal of Chemical Physics

Volumn 112, Issue 18, 2000, Pages 8114-8119

  Arellano, J S ^a,b   Molina, L M ^a   Rubio, A ^a   Alonso, J A ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

^b UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000579166     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481411     Document Type: Article

References (26)

1. A. C. Dillon, K. M. Jones, T. A. Bekkedahl, C. H. Kiang, D. S. Bethune, and M. J. Heben, Nature (London) 386, 377 (1997).
2. F. Darkrim and D. Levesque, J. Chem. Phys. 109, 4981 (1998); F. Darkrim, J. Vermesse, P. Malbrunot, and D. Levesque, ibid. 110, 4020 (1999).
3. F. Darkrim and D. Levesque, J. Chem. Phys. 109, 4981 (1998); F. Darkrim, J. Vermesse, P. Malbrunot, and D. Levesque, ibid. 110, 4020 (1999).
4. Y. Ye, C. C. Ahn, C. Witham, B. Fultz, J. Liu, A. G. Rinzler, D. Colbert, K. A. Smith, and R. E. Smalley, Appl. Phys. Lett. 74, 2307 (1999).
5. C. Liu, Y. Y. Fan, M. Liu, H. T. Cong, H. M. Cheng, and M. S. Dresselhaus, Science 286, 1127 (1999).
6. A. Chambers, C. Park, R. T. K. Baker, and N. M. Rodriguez, J. Phys. Chem. 102, 4253 (1998).
7. Q. Wang and J. K. Johnson, J. Chem. Phys. 110, 577 (1999); J. Phys. Chem. B 103, 4809 (1999).
8. Q. Wang and J. K. Johnson, J. Chem. Phys. 110, 577 (1999); J. Phys. Chem. B 103, 4809 (1999).
9. S. Hynek, W. Fuller, and J. Bentley, Int. J. Hydrogen Energy 22, 601 (1997).
10. P. Chen, X. Wu, J. Lin, and K. L. Tan, Science 285, 91 (1999).
11. V. V. Simonyan, P. Diep, and J. K. Johnson, J. Chem. Phys. 111, 9778 (1999).
12. I. F. Silvera and V. V. Goldman, J. Chem. Phys. 69, 4209 (1978).
13. A. D. Crowell and J. S. Brown, Surf. Sci. 123, 296 (1982).
14. G. Stan and M. W. Cole, J. Low Temp Phys. 110, 539 (1998).
15. M. I. Bercu and V. V. Grecu, Rom. J. Phys. 41, 371 (1996).
16. L. Jeloaica and V. Sidis, Chem. Phys. Lett. 300, 157 (1999).
17. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965); R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
18. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965); R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
19. M. Bockstedte, A. Kley, J. Neugebauer, and M. Scheffler, Comput. Phys. Commun. 107, 187 (1997).
20. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
21. G. B. Bachelet, D. R. Hamann, and M. Schluter, Phys. Rev. B 26, 4199 (1982).
22. D. R. Hamann, Phys. Rev. B 40, 2980 (1989).
23. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
24. M. S. Dresselhaus, G. Dresselhaus, and P. C. Eklund, Science of Fullerenes and Carbon Nanotubes (Academic, San Diego, 1996).
25. N. D. Lang, Phys. Rev. Lett. 46, 842 (1981).
26. R. G. Gordon and V. S. Kim, J. Chem. Phys. 56, 3122 (1972).