Quantum dynamics of H2 formation on a graphite surface through the Langmuir Hinshelwood mechanism

Journal of Chemical Physics

Volumn 121, Issue 13, 2004, Pages 6493-6501

  Morisset, S ^a   Aguillon, F ^a   Sizun, M ^a   Sidis, V ^a  

^a INSTITUT D'OPTIQUE GRADUATE SCHOOL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; DEGREES OF FREEDOM (MECHANICS); ENERGY TRANSFER; GRAPHITE; HYDROGEN; HYDROGEN BONDS; MATHEMATICAL MODELS; PROBABILITY; PROBABILITY DENSITY FUNCTION; VELOCITY MEASUREMENT;

COLLISION ENERGY; LANGMUIR HINSHELWOOD MECHANISM; PHYSISORPTION; VIBRATIONAL ENERGY;

QUANTUM THEORY;

EID: 7044262241     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1781118     Document Type: Article

References (45)

1. D. H. Hollenbach and E. E. Salpeter, Astrophys. J., Suppl. 163, 155 (1971).
2. J. Le Bourlot, G. Pineau des Forêts, E. Roueff, A. Dalgarno, and R. Gredel, Astrophys. J., Suppl. 449, 178 (1995).
3. M. G. Burton, M. Bulmer, A. Moorhouse, T. R. Geballe, and P. W. J. L. Brand, Mon. Not R. Astron. Soc. 257, 1 (1992).
4. O. Guillois, G. Ledoux, I. Nenner, R. Papoular, and C. Reynaud, Faraday Discuss. 109, 335 (1998).
5. S. Gough, C. Schermann, F. Pichou, M. Landau, I. Čadež, and R. I. Hall, Astron. Astrophys. 305, 687 (1996).
6. V. Pirronello, O. Biham, C. Liu, L. Shen, and G. Vidali, Astrophys. J., Suppl. 475, L69 (1997).
7. V. Pirronello, O. Biham, C. Liu, L. Shen, and G. Vidali, Astrophys. J., Suppl. 483, L131 (1997).
8. G. Vidali, V. Pirronello, C. Liu, and L. Shen, Astrophys. Lett. 35, 423 (1998).
9. V. Pirronello, C. Liu, J. E. Roser, and G. Vidali, Astron. Astrophys. 344, 681 (1999).
10. J. S. A. Perry, J. M. Gingell, K. A. Newson, J. To, N. Watanabe, and S. D. Price, Meas. Sci. Technol. 13, 1414 (2002).
11. O. Biham, I. Furman, N. Katz, V. Pirronello, and G. Vidali, Mon. Not. R. Astron. Soc. 296, 869 (1998).
12. N. Katz, I. Furman, O. Biham, V. Pirronello, and G. Vidali, Astrophys. J., Suppl. 522, 305 (1999).
13. S. Cazaux and C. G. M. Tielens, Astrophys. J., Suppl. 575, L29 (2002).
14. P. Parneix and P. Bréchignac, Astron. Astrophys. 334, 363 (1998).
15. Y. H. Kim, J. Ree, and H. K. Shin, Chem. Phys. Lett. 314, 1 (1999).
16. A. J. Farebrother, A. J. H. M. Meijer, D. C. Clary, and A. J. Fisher, Chem. Phys. Lett. 319, 303 (2000).
17. A. J. H. M. Meijer, A. J. Farebrother, D. C. Clary, and A. J. Fisher, J. Phys. Chem. A 105, 2173 (2001).
18. M. Rutigliano, M. Cacciatore, and G. D. Billing, Chem. Phys. Lett. 340, 13 (2001).
19. B. Jackson and D. Lemoine, J. Chem. Phys. 114, 474 (2001).
20. J. Ree, Y. H. Kim, and H. K. Shin, Chem. Phys. Lett. 353, 368 (2002).
21. X. Sha and B. Jackson, Surf. Sci. 496, 318 (2002).
22. X. Sha, B. Jackson, and D. Lemoine, J. Chem. Phys. 116, 7158 (2002).
23. S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, Phys. Chem. Chem. Phys. 5, 506 (2003).
24. S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, Chem. Phys. Lett. 378, 615 (2003).
25. S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, J. Phys. Chem. (in press).
26. J. S. Mathis, W. Rumpl, and K. H. Nordsiek, Astrophys. J., Suppl. 217, 425 (1977).
27. E. L. Fitzpatrick and D. Massa, Astrophys. J., Suppl. 72, 163 (1990).
28. N. Jacobson, M.Sc. thesis, Göteborg University, 2000; N. Jacobson, B. Tegner, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, Comput. Mater. Sci. 24, 273 (2002).
29. N. Jacobson, M.Sc. thesis, Göteborg University, 2000; N. Jacobson, B. Tegner, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, Comput. Mater. Sci. 24, 273 (2002).
30. Y. Ferro, F. Marinelli, and A. Allouche, J. Chem. Phys. 116, 8124 (2002) ; Chem. Phys. Lett. 368, 609 (2003).
31. Y. Ferro, F. Marinelli, and A. Allouche, J. Chem. Phys. 116, 8124 (2002) ; Chem. Phys. Lett. 368, 609 (2003).
32. L. Jeloaica and V. Sidis, Chem. Phys. Lett. 300, 157 (1999).
33. V. Sidis, L. Jeloaica, A. G. Borisov, and S. A. Deutscher, in Molecular Hydrogen in Space, edited by F. Combes and G. Pineau des Forêts, Cambridge Contemporary Astrophysics Series (Cambridge University Press, Cambridge, 2001), pp. 89-97; L. Jeloaica and. V. Sidis, DFT 2001, 9th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics, edited by J. A. Alonso and S. B. Trickey (SL de El Escorial, Madrid, 2001), p. 201.
34. V. Sidis, L. Jeloaica, A. G. Borisov, and S. A. Deutscher, in Molecular Hydrogen in Space, edited by F. Combes and G. Pineau des Forêts, Cambridge Contemporary Astrophysics Series (Cambridge University Press, Cambridge, 2001), pp. 89-97; L. Jeloaica and. V. Sidis, DFT 2001, 9th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics, edited by J. A. Alonso and S. B. Trickey (SL de El Escorial, Madrid, 2001), p. 201.
35. E. Ghio, L. Mattera, C. Salvo, F. Tommasini, and U. Valbusa, J. Chem. Phys. 73, 556 (1980).
36. 2 molecule, while z refers to that of the H atoms.
37. C. Leforestier, R. H. Bisseling, C. Cerjan et al., J. Comput. Phys. 94, 59 (1991).
38. R. Kosloff, in Time Dependent Quantum Molecular Dynamics, Vol. 299 of NATO Advanced Study Institute, Series B: Physics, edited by J. Broekhove and L. Lathouvers (Plenum, New York, 1992), p. 97.
39. V. Kokoouline, O. Dulieu, R. Kosloff, and F. Masnou-Seeuws, J. Chem. Phys. 110, 9865 (1999).
40. A. G. Borisov, J. Chem. Phys. 114, 7770 (2001).
41. D. Kosloff and R. Kosloff, J. Comput. Phys. 52, 35 (1983).
42. Z. Baĉic and J. C. Light, J. Chem. Phys. 85, 4594 (1986); G. C. Corey and D. Lemoine, ibid. 97, 4115 (1992).
43. Z. Baĉic and J. C. Light, J. Chem. Phys. 85, 4594 (1986); G. C. Corey and D. Lemoine, ibid. 97, 4115 (1992).
44. R. J. Baxter and P. Hu, J. Chem. Phys. 116, 4379 (2002).
45. M. Bär, C. Zülicke, M. Eiswirth, and G. Ertl, J. Chem. Phys. 96, 8595 (1992).