Water adsorption and reactions on small sodium chloride clusters

Journal of Physical Chemistry

Volumn 100, Issue 33, 1996, Pages 13950-13958

  Barnett, R N ^a   Landman, Uzi ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CHEMICAL REACTIONS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; WATER;

CLUSTER CATALYZED REACTIONS; IONIZATION POTENTIALS; LOCAL SPIN DENSITY FUNCTIONAL METHOD; SMALL CLUSTERS;

SODIUM CHLORIDE;

EID: 0030217496     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9605764     Document Type: Article

References (42)

1. Prospero, J. M.; Mohnen, V.; Jaenicke, R.; Charlson, R. J.; Delany, A. C.; Moyer, J.; Zoller, W.; Rahn, K. Rev. Geophys. Sae Phys. 1983, 21, 1607.
2. Blanchard, D. C.; Woodcock, A. H. Ann. N.Y. Acad. Sci. 1980, 338, 330.
3. Warneck, P. Chemistry of the Natural Atmosphere; Academic: San Diego, CA, 1988.
4. Finlayson-Pitts, B. J. Nature 1983, 306, 676.
5. Finlayson-Pitts, B. J.; Ezell, M. J.; Pitts, J. N., Jr. Nature 1989, 337, 241.
6. Keene, W. C.; Pszenny, A. A. P.; Jacob, D. J.; Duce, R. A.; Galloway, J. N.; Schultz-Tokos, J. J.; Sievering, H.; Boatman, J. F. Global Biogeochem. Cycles 1990, 4, 407.
7. Pszenny, A. A. P.; Keene, W. C.; Jacob, D. J.; Fan, S.; Maben, J. R.; Zetwo, M. P.; Springer-Young, M.; Galloway, J. N. Geophys. Res. Lett. 1993, 20, 699.
8. Leu, M.-T.; Timonen, R. S.; Keyser, L. F.; Yung, Y. L. J. Phys. Chem. 1995, 99, 13203.
9. Dai, D. J.; Peters, S. J.; Ewing, G. E. J. Phys. Chem. 1995, 99, 10299.
10. Bruch, L. W.; Glebov, A.; Toennies, J. P.; Weiss, H. J. Chem. Phys. 1995, 103, 5109.
11. Solomon, S. Nature 1990, 347, 347.
12. Livingston, F. E.: Ph.D. Thesis, University of California, Los Angeles, 1995. Livingston, F. E.; Whetten, R. L. unpublished work.
13. Hollenbach, D.; Salpeter, E. E. Appl. J. 1971, 163, 155.
14. Landman, U.; Scharf, D.; Jortner, J. Phys. Rev. Lett. 1985, 54, 1860.
15. Barnett, R. N.; Landman, U.; Scharf, D.; Jortner, J. Acc. Chem. Res. 1988, 22, 350.
16. Rajagopal, G.; Barnett, R. N.; Nitzan, A.; Landman, U.; Honea, E.; Labastie, D.; Homer, M. L.; Whetten, R. L. Phys. Rev. Lett. 1990, 64, 2933.
17. Rajagopal, G.; Barnett, R. N.; Landman, U. Phys. Rev. Lett. 1991, 67, 727.
18. Langman, U.; Barnett, R. N.; Cleveland, C. L.; Rajagopal, G. In Physics and Chemistry of Finite Systems: From Clusters to Crystals; Jena, P., Khanna, S. N., Rao, B. K., Kluwer: Dordrecht, 1992; Vol. 1, p 165.
19. Hakkinen, H.; Barnett, R. N.; Landman, U. Europhys. Lett. 1994, 28, 263;
20. Chem. Phys. Lett. 1995, 232, 79.
21. Barnett, R. N.; Cheng, H.-P.; Hakkinen, H.; Landman, U. J. Phys. Chem. 1995, 99, 7731.
22. Pollack, S.; Wang, C. R. C.; Kappes, M. M. Chem. Phys. Lett. 1990, 175, 209;
23. Z Phys. D 1989, 12, 241.
24. Yang, Y. A.; Conover, C. W.; Bloomfield, L. A. Chem. Phys. Lett. 1989, 158, 279.
25. Weiss, P. W.; Ochsenfeld, O.; Ahlrichs, R.; Kappes, M. M. J. Chem. Phys. 1992, 97, 2553.
26. Bonacic-Koutecky, V.; Fuchs, C.; Gaus, J.; Koutecky, J. Z. Phys. D 1993, 26, 192.
27. Sarkas, H. W.; Kidder, L.; Bowen, K. H. J. Chem. Phys. 1995, 102, 57.
28. Barnett, R. N.; Landman, U. Phys. Rev. B 1993, 48, 2081.
29. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
30. Becke, A. D. Phys. Rev. A 1988, 38, 3098;
31. J. Chem. Phys. 1992, 96, 2155.
32. Perdew, J. P.; Wang, Y. Phys. Rev. B 1991, 44, 13298;
33. Perdew, J. P.; Wang, Y. Phys. Rev. B 1991, 43, 8911;
34. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 49, 13244.
35. For recent calculations of pathways and dynamics of ionized water dimers using the BO-LSD-MD method, with generalized exchange-correlation gradient corrections, see: Barnett, R. N.; Landman, U. J. Phys. Chem. 1995, 99, 17305.
36. Physics of Color Centers; Fowler, W. B., Ed.; Academic: New York, 1968.
37. Shepherd, I.; Feher, G. Phys. Rev. Lett. 1965, 15, 194.
38. Barraclough, P. B.; Hall, P. G. Surf. Sci. 1974, 46, 393.
39. Folsch, S.; Henzler, M. Surf. Sci. 1991, 247, 269.
40. Wedding, B.; Klein, M. V. Phys. Rev. 1969, 177, 1274.
41. Atkins, P. W. Physical Chemistry, 4th ed.; Freeman: New York, 1990.
42. Barnett, R. N.; Landman, U. Phys. Rev. Lett., to be, published.