Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study

Journal of Chemical Physics

Volumn 126, Issue 24, 2007, Pages

  Ghosh, Prasenjit ^a   Narasimhan, Shobhana ^a   Jenkins, Stephen J ^b   King, David A ^b  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; MOLECULAR INTERACTIONS; PHASE STABILITY; SURFACE RECONSTRUCTION; THERMAL EFFECTS; THERMODYNAMIC STABILITY;

RECONSTRUCTED SURFACES; RELATIVE STABILITY; ZERO TEMPERATURE;

CARBON MONOXIDE;

EID: 34547319747     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2741540     Document Type: Article

References (43)

1. Z.-P. Liu, Pure Appl. Chem. 76, 2069 (2004).
2. M. A. Van Hove, R. J. Koestner, P. C. Stair, J. P. Bibírian, L. L. Kesmodel, I. Barts, and G. A. Somorjai, Surf. Sci. 103, 189 (1981).
3. M. A. Van Hove, R. J. Koestner, P. C. Bib́rian, L. L. Kesmodel, I. Barts, and G. A. Somorjai, Surf. Sci. 103, 189 (1981).
4. E. Lang, K. Müller, K. Heinz, M. A. Van Hove, R. J. Koestner, and G. A. Somorjai, Surf. Sci. 127, 347 (1983).
5. N. Bickel and K. Heinz, Surf. Sci. 163, 435 (1985).
6. K. Johnson, Q. Ge, S. Titmuss, and D. A. King, J. Chem. Phys. 112, 10460 (2000).
7. Q. Ge, D. A. King, N. Marzari, and M. C. Payne, Surf. Sci. 418, 529 (1998).
8. A. Schmidt, W. Meier, L. Hammer, and K. Heinz, J. Phys.: Condens. Matter 14, 12353 (2002).
9. P. A. Thiel, R. J. Behm, P. R. Norton, and G. Ertl, Surf. Sci. 121, L553 (1982).
10. A. Hopkinson, J. M. Bradley, X. C. Guo, and D. A. King, Phys. Rev. Lett. 71, 1597 (1993).
11. A. Hopkinson, X. C. Guo, J. M. Bradley, and D. A. King, J. Chem. Phys. 99, 8262 (1993).
12. E. Ritter, R. J. Behm, G. Pötschke, and J. Wintterlin, Surf. Sci. 181, 403 (1987).
13. P. van Beurden, B. S. Bunnik, G. J. Kramer, and A. Borg, Phys. Rev. Lett. 90, 066106 (2003).
14. T. Ali, B. Krotzer, A. V. Walker, and D. A. King, J. Chem. Phys. 109, 10996 (1998).
15. T. Ali, B. Krotzer, A. V. Walker, Q. Ge, and D. A. King, J. Chem. Phys. 109, 9967 (1998).
16. A. Deskins, J. Lauterbach, and K. T. Thomson, J. Chem. Phys. 122, 184709 (2005).
17. Y. Y. Yeo, C. E. Wartnaby, and D. A. King, Science 268, 1731 (1995).
18. S. Khatua, Z.-P. Liu, and D. A. King, Surf. Sci. 584, 214 (2005).
19. R. J. Behm, P. A. Thiel, P. R. Norton, and G. Ertl, J. Chem. Phys. 78, 7437 (1983).
20. T. E. Jackman, K. Griffiths, J. A. Davies, and P. R. Norton, J. Chem. Phys. 79, 3529 (1983).
21. H. Hopster, H. Ibach, and G. Comsa, J. Catal. 46, 37 (1977).
22. A. Borg, A.-M. Hilmen, and E. Bergene, Surf. Sci. 306, 10 (1994).
23. P. van Beurden and G. J. Kramer, J. Chem. Phys. 121, 2317 (2004).
24. S. Khatua, S. J. Pratt, and D. A. King (unpublished).
25. A. Hopkinson and D. A. King, Chem. Phys. 177, 433 (1993).
26. A. Hopkinson and D. A. King, Faraday Discuss. 6, 255 (1993).
27. M. Gruyters, T. Ali, and D. A. King, Chem. Phys. Lett. 232, 1 (1995).
28. M. Gruyters, T. Ali, and D. A. King, J. Phys. Chem. 100, 14417 (1996).
29. M. Gruyters, A. T. Pasteur, and D. A. King, J. Chem. Soc., Faraday Trans. 92, 2941 (1996).
30. A. V. Walker, M. Gruyters, and D. A. King, Surf. Sci. 384, L791 (1997).
31. G. Nicolis and F. Baras, Chemical Instabilities (Reidel, Dordrecht, 1984).
32. A. T. Anghel, R. B. Hoyle, I. M. Irurzun, M. R. E. Proctor, and D. A. King, Phys. Rev. Lett. 98, 226102 (2007).
33. D. Passerone, F. Ercolessi, and E. Tosatti, Surf. Sci. 454-456, 947 (2000).
34. P. Hohenberg and W. Kohn, Phys. Rev. 136, 864B (1964).
35. W. Kohn and L. J. Sham, Phys. Rev. 140, 1133A (1965).
36. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
37. P. J. Feibelman, B. Hammer, J. K. Norskov, F. Wagner, M. Scheffler, R. Stumpf, R. Watwe, and J. Dumesic, J. Phys. Chem. B 105, 4018 (2001).
38. Y. Wang and J. P. Perdew, Phys. Rev. B 43, 8911 (1991).
39. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
40. CRC Handbook of Chemistry and Physics, 84th ed. edited by, D. R. Lide, (CRC, Boca Raton, 2004).
41. K. Heinz and G. Besold, Surf. Sci. 125, 515 (1983).
42. S. Titmuss, K. Johnson, Q. Ge, and D. A. King, J. Chem. Phys. 116, 8097 (2002).
43. Y. Y. Yeo, L. Vattuone, and D. A. King, J. Chem. Phys. 104, 3810 (1996).