Changes of morphology and capping of model transition metal clusters

Journal of Physical Chemistry

Volumn 100, Issue 6, 1996, Pages 2053-2061

  Wales, David J ^a   Munro, Lindsey J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001569246     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952521s     Document Type: Article

References (71)

1. Ino, S. J. Phys. Soc. Jpn. 1969, 27, 941.
2. Mackay, A. C. /1cm Crystallogr. 1962, /5, 916.
3. Raoult, B.; Forges, J.; de Feraudy, M. F.; Torchet, G. Philos. Mag. B 1989, 60, 881.
4. Marks, L. D. Philos. Mag. A 1984, 49, 81.
5. Doye, J. P. K.; Wales, D. J.; Berry, R. S. J. Chem. Phys. 1995, 103, 4234.
6. Uppenbrink, J.; Wales, D. J. J. Chem. Soc., Faraday Trans. 1991, 87, 215.
7. Iijima, S.; Ichihashi, T. Phys. Rev. Lett 1986, 56, 616.
8. Howie, A. Nature 1986, 320, 684.
9. Ajayan, P. M.; Marks, L. D. Phys. Rev. Lett. 1989, 63. 279.
10. Smith, D. J.; Petford-Long, A. K.; Wallenberg, L. R.; Bovin, J. O. Science 1986, 233, 872.
11. Sawada, S.; Sugano, S. Z. Phys. D 1992, 24, 37.
12. Gupta, R. P. Phys. Rev. B 1981,23,6265.
13. Gordon, M. B.; CyrotLackmann, F.; Desjonqueres, M. C. Surf. Sei. 1979, SO, 159.
14. Tomanek, D.; Mukherjee, S.; Bennemann, K. H. Phys. Rev. B 1983, 28, 665.
15. Williams, P. Appl. Phys. Lett. 1987, 50, 1760.
16. Czerminski, R.; Eiber, R. J. Chem. Phys. 1990, 92, 5580.
17. Sawada, S.; Sugano, S. Z. Phys. D 1991, 20, 259.
18. Marks, L. D. Rep. Prog. Phys. 603, 57, 1994.
19. Sutton, A. P.; Chen, J. Philos. Mag. Lett. 1990, 61, 139.
20. Murrell, J. N.; Mottram, R. E. Mol. Phys. 1990, 69, 571.
21. Lynden-Bell, R. M. Surf. Sei. 1991, 259, 129.
22. Li, S. D.; Johnston, R. L.; Murrell, J. N. J. Chem. Soc., Faraday Trans. 1992, SS, 1229.
23. Uppenbrink, J.; Johnston, R. L.; Murrell, J. N. Surf. Sei. 1994,304, 223.
24. Fang, J.-Y.; Johnston, R. L.; Murrell, J. N. J. Chem. Soc., Faraday Trans. 1993, 89, 1659.
25. Uppenbrink, J. Personal communication; kindly informed us that the c\ parameter for Cu in ref 21 has the wrong sign.
26. Andreoni, W.; Pasture, G. Phys. Rev. B 1990, 41, 10243.
27. Jona, F.; Marcus, P. M. In The Structure of Surfaces II; Van der Veen, J. F., Van Hove, M. A., Eds.; 1988; p 90.
28. Todd, B. D.; Lynden-Bell, R. M. Surf. Sei. 1993, 281, 191.
29. Hammonds, K. D. Mol. Phys. 1994, 81, 227.
30. Hammonds, K. D.; Lynden-Bell, R. M. Surf. Sei. 1992, 278, 437.
31. Pancir, J. Collect. Czech. Chem. Commun. 1974,40, 1112.
32. Cerjan, C. J.; Miller, W. H. J. Chem. Phys. 1981, 75, 2800.
33. Wales, D. J. Mol. Phys. 1991, 74,
34. \;J. Chem. Soc., Faraday Trans. 1990, 86, 3505;
35. J. Chem. Soc., Faraday Trans. 1992, 88, 653;
36. J. Chem. Soc., Faraday Trans. 1993, 89, 1305;
37. Wales, D. J. J. Chem. Phys. 1994, 101, 3750.
38. Baker, J.; Hehre, W. H. J. Comput. Chem. 1991, 12, 606.
39. Murrell, J. N.; Laidler, K. J. J. Chem. Soc., Faraday Trans. 1968, 64, 371.
40. Wilson, E. B.; Decius, J. C.; Cross, P. C. Molecular Vibrations; Dover: New York, 1980. '
41. Stillinger, F. H.; Weber, T. A. Phys. Rev. A 1983, 28, 2408.
42. Karas, A. J.; Gilbert, R. G.; Collins, M. A. Chem. Phys. Lett. 1992, 193, 181.
43. Leone, R. E.; Schleyer, P. v. R.Angen: Chem., Int. Ed. Engl. 1970, 9,860.,
44. Daw, M. S.; Foiles, S. M.; Baskes, M. I. Mater. Sei. Rep. 1993, 9, 251.
45. Jacobsen, K. W.; Norskov, J. K. Puska, M. J. P/IVî. Rev. B 1987, 35, 7423.
46. Li, Y.; DePristo, A. E. Surf. Sei. 1994, 319, 141.
47. Jacobsen, J.; Jacobsen, K. W.; Stoltze, P.; Norskov, J. K. Phys. Rev. Lett. 1995, 74, 2295.
48. Shao, H. X.; Liu, S. D.; Metiu, H. Phys. Rev. B 1995, 51, 7827.
49. Rôder, H.; Bromann, K.; Brune, H.; Kern, K. Phys. Rev. Letl. 1995, 74, 3217.
50. Uppenbrink, J.; Wales, D. J. J. Chem. Phys. 1993, 95, 5720.
51. Uppenbrink, J.; Wales, D. J. J. Chem. Phys. 1992, 96, 8520.
52. Uppenbrink, J.; Wales, D. J.; Kirkland, A. L; Jefferson, D. A.; Urban, J. Philos. Mag. A 1991, 65, 1079.
53. Lipscomb, W. N. Science 1966, 153, 373.
54. All the figures in this paper were prepared using: Wolfram, S. Mathematica, 2nd ed.; Addison-Wesley: Redwood City, 1991. The clusters were triangulated using a distance cutoff criterion, and the transition vector (i.e. the displacements corresponding to the normal mode with the unique imaginary frequency) is superimposed on the transition state.
55. Cleveland, C. L.; Landman, U. J. Chem. Phys. 1991, 94, 7376.
56. Doraiswamy, N.; Marks, L. D. Philos. Mag. B 1995, 71, 291.
57. Vlachos, D. G.; Schmidt, L. D.; Ans, R. J. Chem. Phys. 1992, 96, 6880, 6891.
58. Parks, E. K.; Winter, B. J.; Klots, T. D.; Riley, S. J. J. Chem. Phys. 1991, 94, 1882.
59. Winter, B. J.; Parks, E. K.; Riley, S. J. J. Chem. Phys. 1991, 94, 8618.
60. Wales, D. J. J. Chem. Soc.. Faraday Trans. 1994, 90, 1061.
61. Johnson, B. F. G. J. Chem. Soc., Chem. Commun. 1986, 27.
62. Northby, J. A. J. Chem. Phys. 1987, 87, 6166.
63. Kellogg, G. L.; Feibelman, P. J. Phys. Rev. Lett. 1990, 64, 3143.
64. Villarba, M.; Jonsson, H. Surf. Sei. 1994, 317, 15.
65. Liu, C. L.; Cohen, J. M.; Adams, J. B.; Voter, A. F. Surf. Sei. 1991, 253, 334.
66. Feibelman, P. J.; Nelson, J. S.; Kellogg, G. L. Phys. Rev. B 1994, 49, 10548.
67. Perkins, L. S.; DePristo, A. E. Surf. Sei. 1995, 325, 169.
68. Ehrlich, G.; Stolt, K. Annu. Rev. Phys. Chem. 1980, 31, 603.
69. Tung, R. T.; Graham, W. R. Surf. Sei. 1980, 97, 73.
70. Haberlen, O. D.; Chung, S. C.; Rösch, N. Int. J. Quantum. Chem. 1994, S28, 595.
71. Detailed results for SC Ni and MM Au are available from the authors by request.