On the viability of single atom abstraction in the dissociative chemisorption of O2 on the Al(111) surface

Journal of Chemical Physics

Volumn 113, Issue 3, 2000, Pages 1249-1257

  Neuburger, M L ^a   Pullman, D P ^a  

^a SAN DIEGO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; ATOMS; COMPUTER SIMULATION; DISSOCIATION; MONTE CARLO METHODS; OXYGEN; SCANNING TUNNELING MICROSCOPY; SURFACES;

DISSOCIATIVE CHEMISORPTION; SINGLE ATOM ABSTRACTION;

CHEMISORPTION;

EID: 0034228106     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481902     Document Type: Article

References (43)

1. H. Brune, J. Wintterlin, R. J. Behm, and G. Ertl, Phys. Rev. Lett. 68, 624 (1992).
2. H. Brune, J. Wintterlin, J. Trost, G. Ertl, J. Wiechers, and R. J. Behm, J. Chem. Phys. 99, 2128 (1993).
3. The binding energy of oxygen atoms on Al(111) has not been determined experimentally but was estimated theoretically as 6 eV by I. P. Batra and L. Kleinman, J. Electron Spectrosc. Relat. Phenom. 33, 175 (1984). The most recent theoretical estimate, calculated in Ref. 6, is 7.5 eV.
4. E. V. Albano and V. D. Pereyra, J. Chem. Phys. 98, 10 044 (1993).
5. C. Engdahl and G. Wahnström, Surf. Sci. 312, 429 (1994).
6. J. Jacobsen, B. Hammer, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. B 52, 14 954 (1995).
7. R. L. Strong, B. Firey, F. W. de Wette, and J. L. Erskine, Phys. Rev. B 26, 3483 (1982).
8. J. E. Crowell, J. G. Chen, and J. T. Yates, Surf. Sci. 165, 37 (1986).
9. C. Astaldi, P. Geng, and K. Jacobi, J. Electron Spectrosc. Relat. Phenom. 44, 175 (1987).
10. J. Strömquist, L. Hellberg, B. Kasemo, and B. I. Lundqvist, Surf. Sci. 352-354, 435 (1996).
11. G. Katz, Y. Zeiri, and R. Kosloff, Surf. Sci. 425, 1 (1999).
12. T. Sasaki and T. Ohno, Comput. Mater. Sci. 14, 8 (1999).
13. L. Österlund, I. Zorić, and B. Kasemo, Phys. Rev. B 55, 15 452 (1997).
14. D. P. Pullman and S. T. Ceyer, Abstr. Pap. Am. Chem. Soc. 207, 168 (1994).
15. G. Wahnström, A. B. Lee, and J. Strömquist, J. Chem. Phys. 105, 326 (1996).
16. Y. Li, D. P. Pullman, J. J. Yang, A. A. Tsekouras, D. B. Gosalvez, K. B. Laughlin, Z. Zhang, M. T. Schulberg, D. J. Gladstone, M. McGonigal, and S. T. Ceyer, Phys. Rev. Lett. 74, 2603 (1995);
17. S. T. Ceyer, Proceedings of the R. A. Welch Foundation Conf. Chem. Res. XXXVIII: Chemical Dynamics of Transient Species (Welch Foundation, Houston, 1994), pp. 156-172;
18. M. R. Tate, D. Gosalvez-Blanco, D. P. Pullman, A. A. Tsekouras, Y. L. Li, J. J. Yang, K. B. Laughlin, S. C. Eckman, M. F. Bertino, and S. T. Ceyer, J. Chem. Phys. 111, 3679 (1999).
19. J. A. Jensen, C. Yan, and A. C. Kummel, Science 267, 493 (1995);
20. J. A. Jensen, C. Yan, and A. C. Kummel, Phys. Rev. Lett. 76, 1388 (1996).
21. T. A. Weber and F. H. Stillinger, J. Chem. Phys. 92, 6239 (1990).
22. L. E. Carter, S. Khodabandeh, P. C. Weakliem, and E. A. Carter, J. Chem. Phys. 100, 2277 (1994).
23. T. A. Schoolcraft, A. M. Diehl, A. B. Steel, and B. J. Garrison, J. Vac. Sci. Technol. A 13, 1861 (1995).
24. D. J. Driscoll, W. Martir, J. X. Wang, and J. H. Lunsford, J. Am. Chem. Soc. 107, 58 (1985).
25. J. T. Roberts and C. M. Friend, Surf. Sci. 202, 405 (1988).
26. X. L. Zhou, S. R. Coon, and J. M. White, J. Chem. Phys. 94, 1613 (1991).
27. J. L. Lin and B. E. Bent, J. Am. Chem. Soc. 115, 2849 (1993);
28. P. W. Kash, D. H. Sun, M. Xi, G. W. Flynn, and B. E. Bent, J. Phys. Chem. 100, 16 621 (1996).
29. Y. Liu, D. P. Masson, and A. C. Kummel, Science 276, 1681 (1997);
30. Y. Liu, A. J. Komrowski, P. R. Taylor, and A. C. Kummel, J. Chem. Phys. 109, 2467 (1998);
31. Y. Liu, P. R. Taylor, and A. C. Kummel, J. Chem. Phys. ibid. 109, 5714 (1998);
32. K. A. Pettus, T. S. Ahmadi, E. J. Lanzendorf, and A. C. Kummel, J. Chem. Phys. ibid. 110, 4641 (1999).
33. M. F. Jarrold and J. E. Bower, J. Chem. Phys. 87, 5728 (1987).
34. P. S. Bagus, C. R. Brundle, F. Illas, F. Parmigiani, and G. Polzonetti, Phys. Rev. B 44, 9025 (1991).
35. R. I. Masel, Principles of Adsorption and Reaction on Solid Surfaces (Wiley, New York, 1996), Chap. 9.
36. M. A. Barteau and R. J. Madix, Surf. Sci. 120, 262 (1980).
37. M. A. Barteau, Catal. Lett. 8, 175 (1991).
38. Q. Dai and A. Gellman, J. Am. Chem. Soc. 115, 714 (1993).
39. J. O. Bokris, Modern Electrochemistry (Plenum, New York, 1970), Vol. 21.
40. R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics and Chemical Reactivity (Oxford University Press, New York, 1987).
41. D. S. Sholl, J. Chem. Phys. 106, 289 (1997).
42. M. R. Tate, D. P. Pullman, Y. L. Li, D. Gosalvez-Blanco, A. A. Tsekouras, and S. T. Ceyer, J. Chem. Phys. 112, 5190 (2000).
43. A. J. Komrowski and A. C. Kummel (private communication).