Adsorption and dissociation of diatomic molecules on transition-metal surfaces

International Reviews in Physical Chemistry

Volumn 18, Issue 2, 1999, Pages 163-233

  Taft, C A ^a   Guimaraes T C ^a   Pavao A C ^b   Lester, W A ^c  

^a CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000525751     PISSN: 0144235X     EISSN: 1366591X     Source Type: Journal    
DOI: 10.1080/014423599229947     Document Type: Article

References (478)

1. van Santen, R. A., 1991, Theoretical Heterogeneous Catalysis (Singapore: World Scientific).
2. Dumesic, J. A., Rudd, D. F., Aparicio, L. M., Rekoske, J. E., and Trevino, A. A., 1993, The Microkinetics of Heterogeneous Catalysis (Washington, DC: American Chemical Society).
3. Somorjai, G. A., 1994, Introduction to Surface Chemistry and Catalysis (New York: Wiley).
4. Rhodin, T. N., and Ertl, G., 1979, The Nature of the Surface Chemical Bond (Amsterdam: North-Holland).
5. Hoffman, R. H., 1988, Solids and Surfaces (New York: vCm).
6. Shustorovich, E. M. (editor), 1991, Metal-Surface Reaction Energetics: Theory and Applications to Heterogeneous Catalysis, Chemisorption and Surface Diffusion (New York: VCH).
7. Ruette, F., (editor), 1992, Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis (Dordrecht: Kluwer).
8. Pacchioni, G., Bagus, P. S., and Parmigiani, F. (editors), 1992, Cluster models for Surface and Bulk Phenomena, NATO Series, Vol. 283 (New York: Plenum).
9. Pacchioni, G., and Bagus, P. S., 1993, Elementary Reaction Steps in Heterogeneous in Catalysis, edited by R. Joyner and R. Van Santen, NATO Advanced Study Institute series C (Dordrecht: Kluwer).
10. van Santen, R. A., and Neurock, M., 1995, Catal. Rev. Sci. Engng, 37, 557.
11. Ruette, F. (editor), 1992, Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis (Dordrecht: Kluwer) (Boston, Massachusetts: Academic Press).
12. van Santen, R. A., 1991, Theoretical Heterogeneous Catalysis (Singapore: World Scientific).
13. Moffat, J. R. (editor), 1994, Theoretical Aspects of Heterogeneous Catalysis (New York: Wiley).
14. van Santen, R. A., and Niemantsverdrict, J. W., 1995, Chemical Kinetics and Catalysis (New York: Plenum).
15. Davis, M. F. (editor), 1993, Selectivity in Catalysis (Washington, DC: American Chemical Society).
16. Hete, M. G., 1990, Heterogeneous Catalysis (Englewood Cliffs, New Jersey: Prentice-Hall).
17. Somorjai, G. A., 1994, Introduction to Surface Chemistry and Catalysis (New York: Wiley).
18. Yoshida, S., Sakaki, S., and Kobayashi, H., 1994, Electronic Processes in Catalysis, a Quantum Chemical Approach to Catalysis (Tokyo: Kodanssha) (New York: VCH).
19. Thomas, J. M., and Thomas, W. J., 1997, Principles and Practice of Heterogeneous Catalysis (New York: VCH).
20. Ertl, G., Knozinger, H., and Weitkamp, J. (editors), 1997, Handbook of Heterogeneous Catalysis (Weinheim: Wiley-VCH).
21. Augustine, R. L., 1996, Heterogeneous Catalysis for the Synthetic Chemist (New York : Marcel Dekker).
22. Mouldn, J. A., van Leewen, P. W. N. M., and van Santen, R. A. (editors), 1993, An Integrated Approach to Homogeneous, Heterogeneous and Industrial Catalysis (Amsterdam : Elsevier).
23. Joyner, R. W., and van Santen, R. A. (editors), 1993, Elementary Reaction Steps in Heterogeneous Catalysis (Dordrecht: Kluwer).
24. Ruette, F. (editor), 1992, Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis (Dordrecht: Kluwer).
25. Piet, W. N. M., van Leeuwen, P. W. N. M., Morokuma, K, and van Lenthe, J. H. (editors), 1995, Theoretical Aspects of Homogeneous Catalysis: Applications Ab Initio Molecular Orbital theory (Dordrecht: Kluwer).
26. Thomas, J. M., and Thomas, W. J., 1994, Principles and Practice of Heterogeneous Catalysis (Weinheim: VCH).
27. Augustine, R. L., 1996, Heterogeneous Catalysis for the Synthetic Chemist (New York: Marcel Dekker).
28. Mouldn, J. A., van Leeuwen, P. W. N. M, and van Santen, R. A. (editors), 1993, An Integrated Approach to Homogeneous, Heterogeneous and Industrial Catalysis (Amsterdam: Elsevier).
29. Joyner, R. W., and van Santen, R. A. (editors), 1993, Elementary Reaction Steps in Heterogeneous Catalysis (Dordrecht: Kluwer).
30. Shustorovich, E. (editor), 1991, Metal-Surface Reaction Energetics: Theory and Applications to Heterogeneous Catalysis, Chemisorption and Surface Diffusion (New York: VCH).
31. Blaster, H. U. (editor), 1996, Proceedings of the Fourth International Symposium on Heterogeneous Catalysis and Fine Chemicals, Basel, Switzerland, 8-12 September 1996 (Amsterdam: Elsevier).
32. Froment, G. C., and Waugh, K. C. (editors), 1997, Proceedings of the International Symposium on Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis, (15-17 September 1997 Amsterdam: Elsevier).
33. Pavão, A. C., Taft, C. A., Guimaraes, T. C., and Lester, W. A. Jr, 1994, Trends chem. Phys., 3, 109, and references therein.
34. Pavao, A. C., Guimaraes, T. C., Taft, C. A., and Lester, W. A., Jr, 1999, Theochem, 458, 99.
35. Almeida, A. L., Martins, J. B. L., Taft, C. A., Longo, E., and Lester, W. A., Jr, 1998, J. chem. Phys., 109, 3671.
36. Almeida, A. L., Martins, J. B. L., Taft, C. A., Longo, E., and Lester, W. A., Jr, 1999, J. chem. Phys., Int. J. quant. Chem., 71, 153.
37. Taft, C. A., Longo, E., Andres, J., and Lie, S. K., 1998, J. molec. Struct., 426, 199.
38. Norskov, J. K., 1992, Prog. Surf. Sci., 38, 103.
39. Hoffmann, R., 1988, Solids and Surfaces (New York: VCM).
40. Albright, T. A., Burdett, J. K., and Whangbo, M. H., 1985, Orbital Interactions in Chemistry (New York: Wiley).
41. Baerends, E. J., 1992, Cluster Models for Surface and Bulk Phenomena, NATO Advanced Study Institute Series, Series B, Vol. 283, edited by G. Pacchioni and P. Bagus (New York: Plenum).
42. Norskov, J. K., and Lang, N. D., 1980, Phys. Rev. B, 21, 2136.
43. Norskov, J. K., and Lang, N. D., 1982, Phys. Rev. B., 26, 2875.
44. Slater, J. C., 1974, The Self Consistent Fieldfor Molecules and Solids: Quantum Theory of Molecules and Solids (New York: McGraw-Hill).
45. Slater, J. C., 1951, Phys. Rev., 81, 385.
46. Slater, J. C., 1972, Adv. quant. Chem., 6, 1.
47. Johnson, K. H., and Messner, R. P., 1976, Int. J. quant. Chem. Symp., 10, 47.
48. Johnson, K. H., 1973, Adv. quant. Chem., 7, 143.
49. Shustorovich, E. M., 1986, Surf. Sci. Rep., 6, 1.
50. Slater, J. C., 1990, Adv. Catal., 37, 101.
51. Shustorovich, E. M., and Bell, A. T., 1992, Surf. Sci., 268, 397.
52. Sellers, H., 1994, Surf. Sci, 310, 281.
53. Hoffmann, R., 1963, J. chem. Phys., 19, 1397.
54. Hoffmann, R., 1988, Rev. mod. Phys., 60, 101.
55. Hoffmann, R., 1987 Angew. Chem., Int. Edn Engl., 26, 846.
56. Hoffmann, R., and Lipscomb, W. N., 1962, J. Chem. Phys., 36, 2179.
57. Hoffmann, R., and Lipscomb, W. N., 1962, J. Chem. Phys., 37, 2872.
58. Anderson, A. B., and Hoffmann, R. W., 1974, J. chem. Phys., 60, 4271.
59. Anderson, A. B., and Nichols, J. A., 1986, J. Am. chem. Soc., 108, 1385.
60. Anderson, A. B., 1976, Inorg. Chem., 15, 2598.
61. Anderson, A. B., and Maloney, J. J., 1988, J. phys. Chem., 92, 809.
62. Kang, D. B., and Anderson, A. B., 1985, J. Am. chem. Soc., 107, 7858.
63. Anderson, A. B., McDevitt, M. R., and Urbach, F. L., 1984, Surf. Sci., 146, 80.
64. Anderson, A. B., Grimes, R. W., and Hond, S. Y., 1987, J.phys. Chem., 91, 4245.
65. Dewar, M. J. S., and Thiel, W., 1977, J. Am. chem. Soc., 99, 4899.
66. Dewar, M. J. S., Zoebisch, E. G., Healy, E. F., and Stewart, J. P., 1985, J. Am. chem. Soc., 107, 3902.
67. Stewart, J. J. P., 1989, J. comput. Chem., 10, 209.
68. Holder, A. J., 1977, AMPAC, Semichem Company.
69. Lipkowitz, K. B., and Boyd, D. B. (editors), 1992, Reviews in Computational Chemistry (New York: VCH).
70. Fraga, F., 1992, Computational Chemistry : Structure, Interactions and Reactivity (Amsterdam: Elsevier).
71. Riddley, J., and Zerner, M., 1973, Theor. Chim. Acta, 32, 111.
72. Bacon, D., and Zerner, M. C., 1979, Theor. Chim. Acta, 53, 21.
73. Zerner, M. C., Loew, G. H., Kirchner, R. F., and Mueller-Westerhoff, U. T., 1989, J. Am. Chem. Soc., 102, 589.
74. Zerner, M., and Salahub, D. R. (editors), 1989, The Challenge of d and f Electrons: Computation and Theory, American Chemical Society Symposium Series, Vol. 394 (New York: American Chemical Society).
75. Bauschlicher, C. W., Jr, 1974, J. chem. Phys, 101, 3250.
76. Bauschlicher, C. W., Walch, S. P., and Bauschlicher, C. W., Jr, 1985, Comparison of Ab Initio Quantum in Chemistry with Experiment, edited by R. Bartlett (Boston, Massachusetts: Reidel).
77. Langhoff, S. R., and Bauschlicher, C. W., Jr, 1986, Chem. Phys. Lett., 124, 251.
78. Lawley, P. (editor), 1987, Ab Initio Methods in Quantum Chemistry (New York: Wiley).
79. Sellers, H., and Golab, J. T. (editors), 1994, Theoretical and Computational Approaches to Interface Phenomena.
80. Ahlrichs, D. R., Scharf, P., and Ehrhardt, C., 1985, J. chem. Phys., 82, 890.
81. Chong, D. P., and Langhoff, S. R., 1986, J. chem. Phys., 84, 5606.
82. Szabo, A., and Ostlund, N. S., 1992, Modern Quantum Chemistry: an Introduction to Advanced Electronic Structure Theory (London: Macmillan).
83. Balasubramanian, K., Feng, P. Y., and Liao, M. Z., 1987, J. chem. Phys., 87, 3981.
84. Harris, S., 1982, Chem. Phys., 67, 229.
85. Harris, S., and Chmselli, R. R., 1984, J. Catal, 86, 400.
86. Parr, R. G., and Yang, W., 1989, Density Functional Theory of Atoms and Molecules (Oxford University Press).
87. Thomas, L. H., 1989, Proc. Camb. Phil. Soc., 26, 376.
88. Fermi, E., 1926, Z. Phys, 48, 542.
89. Hohenberg, P., and Kohn, W., 1994, Phys. Rev., 136, B864.
90. Kohn, W., and Sham, L. J., 1965, Phys. Rev., 140, A1133.
91. Ziegler, T., 1991, Chem. Rev., 91, 651.
92. Labanowski, J., and Andzelm, J. (editors), 1991, Density Functional Methods in Chemistry (New York: Springer).
93. Dovesi, R., Pisani, C., Roetti, C., and Silvi, B., 1987, J. chem. Phys., 86, 6967.
94. Dovesi, R., Pisani, C., Roetti, C., and Saunders, V. R., 1987, Phys. Rev. B, 28, 5781.
95. Thompson, M. R., Hess, A. C., Nicholas, J. B., White, J. C., Anchell, J., and Ebner, X., 1994, in New Developments in Selective Oxidation II (Amsterdam: Elsevier) p. 167.
96. Jaffe, J. E., and Hess, A. C., 1993, Condens. Mater., 48, 7903.
97. Velde, G., and Baerends, E. J., 1993, Chem. Phys., 177, 399.
98. Feibelman, P. J., 1991, Phys. Rev. Lett., 67, 461.
99. Boettger, J. C., 1993, Int. J. quant. Chem., quant. Chem. Symp., 27, 147.
100. Hammer, B., Jacobsen, K. W., and Norskov, J. K., 1992, Phys. Rev. Lett., 69, 1971.
101. Rovoredo Chacon -Taylor, M., and McCarthy, M. I., 1996, J. phys. Chem., 100, 7610.
102. Cox, D. M., Kaldor, A., Fayet, P., Eberhardt, W., Brickman, R., Sherwood, R., Fu, Z., and Sondericher, D., 1990, Novel Materials in Heterogeneous Catalysis, American Chemical Society Symposium Series, Vol. 437 (New York: American Chemical Society), p. 172.
103. Kaldor, A., and Cox, D. M., 1990, Pure appl. Chem., 62, 79.
104. Cox, D. M., Zakin, M. R., and Kaldor, A., 1987, Physical Chemistry of Small Clusters, NATO Advanced Study Institute Series, Vol. 158, p. 741.
105. Estiu, G. L., and Zerner, M. C., 1994, J. phys. Chem., 98, 9972.
106. Russier, V., Salahub, D. R., and Mijoule, C., 1992, J. phys. Chem., 96, 7579.
107. Madlowen, P., and Whitten, J., 1982, J. chem. Phys., 77, 2673.
108. Blomberg, M. R., Siegbahn, P. E. M., Nagashima, K., and Wennerberg, J., 1991, J. Am. chem. Soc., 113, 424.
109. Biemolt, W., Kerkhof, G. J. C. S., Davies, P. R., Jansen, A. P. J., and van Santen, R. A., 1992, Chem. Phys. Lett., 188, 477.
110. Siegbahn, P. E. M., and Wahlgren, U., 1992, Int. J. quant. Chem., 42, 1149.
111. Madlowen, P., and Whitten, J., 1982, J. chem. Phys., 77, 2673.
112. Blomberg, M. R., Siegbahn, P. E. M., Nagashima, K., and Wennerberg, E. 1991, J. Am. chem. Soc., 113, 424.
113. Upton, T. H., and Goddard, W. A., 1981, CRC Crit. Rev. Solid St. Mater. Sci., 10, 261.
114. Bagus, P. S., Nelin, C. J., Bauschlicher, C. W., Jr, 1983, J. chem. Phys., 28, 5423.
115. Hermann, K., Bagus, P. S., and Nelin, C. J., 1987, Phys. Rev. B, 35, 9467.
116. Panas, I., Schule, I., Siebahn, P. E. M., and Whalgren, U., 1988, Chem. Phys. Lett., 149, 265.
117. Lester, W. A., 1997, Recent Advances in Quantum Monte Carlo Methods-Recent Advances in Computational Chemistry, Vol. 2 (Singapore: World Scientific).
118. Ceperley, D. M., and Metas, L., 1996, Adv. chem. Phys., 93, 1.
119. Anderson, J. B., 1995, Int. Rev. Phys. chem., 14, 85.
120. Hammond, B. L., Lester, W. A., Jr, and Reynolds, P. J., 1994, Monte Carlo Methods in Ab Initio Quantum Chemistry (Singapore: World Scientific).
121. Blyholder, G., 1964, J. phys. Chem., 68, 2772.
122. Sung, S., and Hoffmann, R., 1985, J. Am. chem. Soc., 107, 578.
123. Giumaraes, T. C., Pavao, A. C., Taft, C. A., and Lester, W. A., Jr, 1997, Phys. Rev. B, 56, 7001.
124. Pavão, A. C., Braga, M., Taft, C. A., Hammomj, B. L., and Lester, W. A., Jr, 1991, Phys. Rev., 44, 1910.
125. Pavão, A. C., Braga, M., Taft, C. A., Hammomj, B. L., and Lester, W. A., Jr, 1991, Phys. Rev. B, 43, 6962.
126. Pavão, A. C., Soto, M. M., Lester, W. A., Jr, Lie, S. K., Hammond, B. L., and Taft, C. A 1994, Phys. Rev. B, 50, 1868.
127. Pavão, A. C., Hammond, B. L., Soto, M. M., Lester, W. A., Jr, and Taft, C. A., 1995, Surf. Sci, 323, 340.
128. Guimaraes, T. C., Pavao, A. C., Taft, C. A., and Lester, W. A., Jr, 1999, Phys. Rev. B, (in the press).
129. Heinzmann, U., Holloway, S., Kleyn, A. W., Plamer, R. E., and Snowdon, K. J., 1996, J. Phys.: condens. Matter, 8, 3245, and references therein.
130. Cotton, F. A., and Kraihanzel, C. S., 1962, Inorg. Chem., 84, 4432.
131. Grunze, M., Golze, M., Hirschwald, W., Freund, H. J., and Pulm, H., Seip, U., Tsai, M. C., Ertl, G., and Kuppers, J., 1984, Phys. Rev. Lett., 53, 850.
132. Bernasek, S. L., 1993, A. Rev. phys. Chem., 44, 265.
133. Bozso, F., Ertl, G., Grunze, M., and Wiss, M., 1977, J. Catal., 49, 189.
134. Spencer, N. D., Schoonmaker, R. C., and Somorjai, G. A., 1982, J. Catal., 74, 129.
135. Moon, D. W., Dwyer, D. J., and Bernasek, S. L., 1985, Surf. Sci., 163, 215.
136. Benziger, J., and Madix, R. J., 1980, Surf. Sci., 94, 199.
137. Shiwj, N. D., and Madey, T. E., 1985, J. chem. Phys, 83, 5928.
138. Shiwj, N. D., and Madey, T. E., 1986, Phys. Rev. B, 33, 1464.
139. Shiwj, N. D., 1988, Phys. Rev. B, 38, 12248.
140. Dowben, P. A., Ruppender, H. J., and Grunze, M., 1991, Surf. Sci. Lett., 254, L482.
141. Broden, G., Rhodin, T. N., Brucker, C., Benbrow, B., and Hurych, Z., 1976, Surf. Sci., 59, 593.
142. Andreoni, W., and Varma, C. M., 1981, Phys. Rev. B, 23, 4379.
143. Hoffmann, R., Chen, M. M. L., and Thorn, D. L., 1997, Inorg. Chem., 16, 503.
144. Huber, R., Epp, O., and Formanek, H., 1970, J. molec. Biol., 52, 349.
145. Norvell, J. C., Nunes, A. C., and Schoenborn, B. P., 1975, Science, 190, 568.
146. Pauling, L., 1984, Solid St. Chem., 54, 297.
147. Heskett, D., Plummer, E. W., and Messmer, R. P., 1984, Surf. Sci., 139, 558.
148. Kishi, K., and Roberts, M. W., 1975, J. chem. Soc., Faraday Trans. I, 71, 1715.
149. Mehandru, S. P., and Anderson, A. B., 1986, Surf. Sci. Lett., 169, L281.
150. Yoshida, K., and Somorjai, G. A., 1978, Surf. Sci., 75, 46.
151. Jensen, E. S., and Rhodin, T. N., 1983, Phys. Rev. B, 27, 3338.
152. Moon, D. W., Dwyer, D. J., and Bernasek, S. L., 1985, Surf. Sci., 163, 215.
153. Moon, D. W., Bernasek, S. L., Dwyer, D. J., and Gland, J. L., 1985, J. Am. chem. Soc., 107, 4363.
154. Moon, D. W., Cameron, S., Zaera, F., Eberhardt, W., Carr, R., Bernasek, S.L., Gland, J. L., and Dwyer, D. J., 1987, Surf. Sci., 180, L123.
155. Moon, D. W., Bernasek, S. L., Lu, J. P., Gland, J. L., and Dwyer, D. J., 1987, Surf. Sci, 184, 90.
156. Benziger, J., and Madix, R. J., 1980, Surf. Sci., 94, 119.
157. Seip, U., Tsai, M. C., Christmann, K., Kuppers, J., and Ertl, G., 1984, Surf. Sci., 139, 29.
158. Gonzalez, L., Miranda, R., and Ferrer, N. D. S., 1982, Surf. Sci., 119, 61.
159. Erley, W., 1981, J. vacuum Sci. Technol., 18, 472.
160. Shiwj, N. D., and Madey, T. E., 1985, J. chem. Phys, 83, 52928.
161. Passler, M., Ignatiev, A., Jona, F., Jepsen, D. W., and Marcus, P. M., 1979, Phys. Rev. Lett., 43, 360.
162. Heinz, K., Lang, E., and Muller, K., 1979, Surf. Sci., 87, 5959.
163. Tong, S. Y., Maldonado, A., Li, C. H., and Van Hove, M. A., 1980, Surf. Sci., 94, 73.
164. Andersson, S., and Pendry, J. B., 1980, J. Phys. C, 94, 3547.
165. Lauterbach, J., Wittmann, M., and Küppers, J., 1992, Surf. Sci., 279, 287.
166. Stohr, J., and Jaeger, R., 1982, Phys. Rev. B, 26, 4111.
167. Kevan, S.D., Davis, R. F., Rosenblatt, D.H., Tobin, J. G., and Mason, M. G., Shirley, D. A., Li, C. H., and Tong, S. J., 1981, Phys. Rev. Lett., 46, 1629.
168. Andersson, S., 1977, Solid St. Commun., 21, 75.
169. Bertolini, J. C., and Tardy, B., 1981, Surf. Sci., 102, 12.
170. Biberian, J. B., and Van Hove, M. A., 1982, Surf. Sci., 118, 443.
171. Klauser, R., Spiess, W., Bradshaw, A. M., and Hayden, B. E., 1986, J. Electron Spectrosc. Relat. Phenomena, 38, 187.
172. Petersson, L. G., Kono, S., Hall, N. F. T., Fadley, C. S., and Pendry, J. B., 1979, Phys. Rev. Lett., 42, 1545.
173. Chang, S., Tobin, R. G., Richards, P. L., and Thiel, P. A., 1974, Phys. Rev. Lett., 52, 648.
174. Tang, S. L., Beckerle, J. D., Lee, M. B., and Ceyer, S. T., 1986, J. chem. Phys., 84, 6488.
175. Steinruch, H. P., Winkler, A., and Rendulic, K. D., 1985, Surf. Sci., 152, 323.
176. Hines, M. A., and Zare, R. N., 1993, J. chem. Phys., 98, 9134.
177. Miller, J. B., Siddiqui, H. R., Gates, S. M., Russel, J. N., Jr, Yates, J. T., Jr, Tully, J. C., and Cardillo, M. J., 1987, J. chem. Phys., 87, 6725.
178. Caputi, L. S., Agosttno, R. G., Amoddeo, A., and Colavita, E., 1993, Surf. Sci., 282, 62.
179. Wesner, D. A., Coenen, F. P., and Bonzel, H. P., 1989, Phys. Rev. B, 39, 10770.
180. Surnev, L., Xu, Z., and Yates, J. T., Jr, 1988, Surf. Sci., 201, 1.
181. Maruca, R., Kusuma, T., Hicks, V., and Companion, A., 1990, Surf. Sci., 236, 210.
182. Drakova, D., and Doyen, G., 1990, Surf. Sci., 226, 285.
183. Allison, J. N., and Goddad, W. A., 1982, Surf. Sci, 115, 553.
184. Bauschlicher, C. W., Jr, Bagus, P. S., Nelin, C. J., and Roos, B. O., 1986, J. chem. Phys., 85, 354.
185. Raatz, F., and Salahub, D. R., 1985, Surf. Sci, 156, 982.
186. Rosen, A., Baerends, E. J., and Ellis, D. E., 1979, Surf. Sci., 82, 139.
187. Mele, F., Russo, N., and Toscano, M., 1994, Surf. Sci., 307, 113.
188. Norskov, J. K., Holloway, S., and Lang, N. D., 1984, Surf. Sci., 137, 65.
189. Rhodin, T. N., and Brucker, C. F., 1977, Solid St. Commun., 23, 275.
190. Kiskinova, M., and Goodman, D. W., 1981, Surf. Sci., 108, 64.
191. Ko, E. J., and Mack, R. J., 1981, Surf. Sci, 109, 221.
192. Pacchioni, G., and Bagus, P. S., 1993, Chem. Phys., 177, 373.
193. Schultz, P. A., 1990, J. vacuum Sci. Technol. A, 8, 2525.
194. Angevaare, P. A. J., Hendricks, H. A. C. M., and Ponec, V., 1988, J. Catal., 110, 11.
195. Pirug, G., and Bonzel, H., 1988, Surf. Sci., 199, 371.
196. Dubois, L. H., Zegarski, B. R., and Luftman, H. S., 1987, J. chem. Phys., 87, 1367.
197. Gorling, A., Ackermann, L., Lauber, J., Knappe, P., and Rosch, N., 1993, Surf. Sci., 286, 26.
198. Rosch, N., Gorling, A., Knappe, P., and Lauber, J., 1990, Vacuum, 41, 150.
199. Katsuki, S., Sakai, Y., and Miyoshi, E., 1989, Surf. Sci., 220, 181.
200. Rodriguez, J. A., and Campbell, C. T., 1987, J. phys. Chem., 91, 2161.
201. Bonzel, H. P., 1987, Surf. Sci. Rep, 8, 43.
202. Luftman, H. S., and White, J. M., 1984, Surf. Sci., 139, 369.
203. Weimer, J. J., Umbach, E., and Menzel, D., 1985, Surf. Sci., 155, 133.
204. Miyoshi, E., Sakai, Y., and Katsuki, S., 1991, Surf. Sci., 242, 531.
205. Eberhardt, W., Hoffmann, F. M., De Paola, R., Heskett, D., Strathy, I., Plummer, E. W. L., and Moser, H. R., 1985, Phys. Rev. Lett., 54, 1856.
206. Pacchioni, G., and Bagus, P. S., 1989, Phys. Rev. B, 40, 6003.
207. Paul, J., 1986, Nature, 323, 1701.
208. Pacchioni, G., and Bagus, P. S., 1990, J. chem. Phys., 93, 1209.
209. Ruckman, M. W., and Strongin, M., 1994, Accts Chem. Res., 27, 250.
210. Romeo, R., Majerus, J., Legare, P., Castellani, N. J., and Leroy, D. B., 1990, Surf. Sci., 238, 163.
211. Pick, S., 1996, Surf. Sci, 352, 300.
212. Pangher, N., Wrde, L., and Haase, J., 1996, Chem. Phys. Lett., 255, 378.
213. Watanabe, K., Ohnuma, H., Uetsuka, H., and Kummori, K., 1966, Surf. Sci., 368, 366.
214. Kummori, K., Uetsuka, H., Iwade, T., and Ito, S., 1993, Surf. Sci., 283, 58.
215. Ohno, Y., Matsushima, T., and Uetsuka, H., 1994, J. chem. Phys., 101, 5319.
216. Gordon, M. H., and Tully, J. C., 1993, Chem. Phys., 175, 37.
217. Morin, M., Levinos, N. J., and Harris, A. L., 1992, J. chem. Phys., 96, 3950.
218. Sutcu, L. F., White, H. W., and Wragg, J. L., 1991, Surf. Sci. Lett, 249, L343.
219. Finlay, R. J., Hua Her, T., Wu, C., and M zur, E., 1997, Chem. Phys. Lett, 274, 499.
220. Tully, J. C., and Gomez, M., 1993, J. vac. Sci. Technol. A, 11, 1914.
221. Yang, H., Whitten, J. L., Huberty, J. S., and Madix, R. J., 1997, Surf. Sci., 375, 268.
222. Bagus, P. S., and Pacchioni, G., 1990, Surf. Sci., 236, 233.
223. Holloway, S., and Norskov, J. K., 1984, J. Electroanal. Chem., 161, 193.
224. Roy, D., and Furtak, T. E., 1986, Chem. Phys. Lett., 139, 501.
225. Lambert, D. K., 1988, J. chem. Phys., 89, 3847, and references therein.
226. Korzeniewski, C., Pons, S., Schmidts, P. P., and Severson, w. M., 1986, J. chem. Phys., 85, 4153.
227. Sellidj, A., and Koel, B. E., 1994, Phys. Rev. B, 49, 8367.
228. Rodriguez, J. A., and Goodman, D. W., 1992, Science, 257, 897.
229. Heitzinger, J. M., Gebhard, S. C., Parker, D. H., and Koel, B. E., 1992, Surf. Sci., 260, 151.
230. Zhao, Y. B., and Gomer, R., 1990, Surf. Sci., 239, 189.
231. Sandell, A., Libuda, J., Bruhwillelr, P. A., Andersson, S., Maxwell, A. J., Martensson, N., and Freund, H. J., 1997, Phys. Rev. B, 55, 7233.
232. Matsushima, T., Akiyama, H., Lesar, A., Sugmura, H., Torre, G. E. D., Yamanaka, T., and Ohno, Y., 1997, Surf. Sci, 386, 24.
233. Beutler, A., Lundgren, E., Nyholm, R., Andersen, J. N., Setlik, B., and Heskett, D., 1997, Surf. Sci., 371, 381.
234. Borup, R. L., Sauer, D. E., and Stuve, E. M., 1997, Surf. Sci, 374, 152.
235. Zaera, F., Lui, J., and Xu, M., 1997, J. chem. Phys., 106, 41204.
236. Yoshimi, K., Bong Song, M., and Ito, M., 1996, Surf. Sci., 368, 389.
237. Tanaka, K., 1996, Surf. Sci, 357, 721.
238. Lu, S. H., Yao, J., Zhu, L., Liu, G. L., Liu, F. Q., and Wu, S. C., 1992, Phys. Rev. B, 45, 6142.
239. Cook, J. C., and Mc Cash, E. M., 1997, Surf. Sci, 371, 213.
240. Illas, F., Rubio, J., Souosa, C., Povill, A., Zurita, S., Fernandez -Garcia, M., Ricart, J. M., Clotet, A., and Casanovas, J., 1996, J. molec. Struct. (Theochem.), 371, 257.
241. Ohnishi, S., and Watasi, N., 1996, Phys. Rev. B, 49, 14619.
242. Beutl, M., Rendulic, K. D., and Castro, G. R., 1997, Surf. Sci., 385, 1106.
243. Zasada, I., Hansali, G., LeBosse, J. C., and Lopez, J., 1997, Surf. Sci., 383, 241.
244. Illas, F., Zurita, S., Marquez, A. M., and Rubio, J., 1997, Surf. Sci., 376, 279.
245. Smirnov, K. S., and Raseev, G., 1997, Surf. Sci., 384, L975.
246. Skelton, D. C., Wei, D. H., and Kevan, S. D., 1997, Surf. Sci., 370, 64.
247. Morikawa, Y., Mortensen, J. J., Hjammer, B., and Norskov, J. K., 1997, Surf. Sci., 386, 67.
248. Berttno, M. F., and Witte, G., 1997, Surf. Sci., 385, L984.
249. Ramsey, M. G., Leisenberger, F. P., Netzer, F. P., Roberts, A. J., and Raval, R., 1997, Surf. Sci., 385, 207.
250. Wei, D. H., Skelton, D. C., and Kevan, S.D., 1997, Surf. Sci., 381, 49.
251. Snabl, M., Borusik, O., Chab, V., Ondrejcek, M., Stenzel, W., Conrad, H., and Bradshaw, A. M., 1997, Surf. Sci., 385, 11016.
252. Hammer, B., Morikawa, Y., and Norskov, J. K., 1996, Phys. Rev. Lett., 76, 2141.
253. Ruban, A., Hammer, B., Stoltze, P., Skrtver, H. L., and Norskov, J. K., 1997, J. molec. Catal. A, 115, 421.
254. Mortensen, J. J., Morikawa, Y., Hammer, B., and Norskov, J. K., 1997, Z. phys. Chem., 198, 113.
255. Hammer, B., Nielsen, O. H., and Norskov, J. K., 1997, Catal. Lett., 46, 31.
256. Hammer, B., and Norskov, J. K., 1997, NATO Advanced Study Institute Series, Series E, Vol. 331, edited by R. Lambert and G. Pacchioni (Dordrecht: Kluwer).
257. Harl, H., Mendel, K., Metka, U., Volpp, H. R., Willms, L., and Wolfrum, J., 1997, Chem. Phys. Lett., 279, 275.
258. Fichtner Endruschat., De Renzi, V., Morgante, A., Schwegmann, S., Bludau, H., Schuster, R., Bottcher, A., and Over, H., 1998, J. chem. Phys., 108, 774.
259. Bonicke, I. A., Thieme, F., and Kirstein, W., 1998, Surf. Sci., 395, 138.
260. Delbecq, F., Moraweck, B., and Verite, L., 1998, Surf. Sci., 396, 156.
261. Behm, R. J., 1997, Acta Phys. Polonica A, 93, 260.
262. Onsgaard, J., Godowski, P. J., Nerlov, J., Quist, S., and Hoffmann, S. V., 1997, Surf. Sci., 398, 318.
263. Matolin, V., and Stara, I., 1998, Surf. Sci., 398, 117.
264. Ladas, S., Poppa, H., and Boudart, M., 1981, Surf. Sci., 102, 151.
265. Matolin, V., and Gillet, E., 1986, Surf. Sci., 166, L115.
266. Rumpf, F., Poppa, H., and Boudart, M., 1988, Langmuir, 4, 722.
267. Boudart, M., 1996, Adv. Catal., 20, 153.
268. Sakakini, B. H., and Verbrugge, A. S., 1997, J. chem. Soc., Faraday Trans., 93, 1637.
269. Pick, S., 1998, Phys. Rev. B, 57, 1942.
270. Xu, C., and Koel, B., 1995, Surf. Sci, 327, 38.
271. Snabl Borusik, O., Chab, V., Ondrejcek, M., Stenzel, W., Conrad, H., and Bradshaw, A. M., 1997, Surf. Sci. Lett., 486, L1016.
272. Godowski, P. J., Onsgaard, J., Christensen, S. V., and Nerlov, J., 1996, Acta Phys. Polonica A, 89, 657.
273. Rochefort, A., Abon, M., Delichere, P., and Bertolini, J. C., 1993, Surf. Sci., 294, 43 and references therein.
274. Kawai, M., and Yoshinobu, J., 1996, Surf. Sci., 368, 239.
275. Jackson, S. D., and Munro, N. H. S., 1998, J. chem. Soc., Faraday Trans., 84, 955;
276. Aizawa, H., and Tsuneyuki, S., 1998, Surf. Sci., 399, L364
277. Wong, Y. T., and Hoffmann, R., 1991, J.phys. Chem., 95, 859.
278. Nilsson, A., Wassdahl, N., Weinelt, M., Karis, O., Wiell, T., Bennich, P., Hasselstrom, J., Fohlish, A., Stohr, J., and Samant, M., 1997, Appl. Phys. A, 65, 147.
279. Zonneyville, M. C., Goerlings, J. J. C., Geerlings, J. J. C., and van Santen, R. A., 1994, J. Catal., 148, 417.
280. Hasse, G., and Asscher, J., 1987, Surf. Sci., 191, 75.
281. Wu, Y., and Cao, P.-L., 1987, Surf. Sci, 179, 26.
282. Ibbotson, D. E., Wittrig, T. S., and Weiberg, W. H., 1981, Surf. Sci., 110, 313.
283. Zhou, R.-H., Shi, D.-H., and Cao, P.-L., 1992, J. Phys.: condens. Matter, 4, 2429.
284. Heskett, D., Plummer, E. W., and Messmer, R. P., 1984, Surf. Sci., 139, 558.
285. de Paola, R. A., Hoffmann, F. M., Heskett, D., and Plummer, E. W., 1987, Phys. Rev. B, 35, 4236.
286. Grunze, M., Golze, M., and Hirschwald, W., Freund, H. J., Pulm, H. J., Seip, U., Tsai, M., Ertt, G., and Kuppers, J., 1984, Phys. Rev. Lett., 53, 850.
287. Tomanek, D., and Bennemann, K., 1988, Phys. Rev. B, 31, 2488.
288. Freund, H. J., Bartos, B., Messmer, R. P., Grunze, M., Kuhlenbeck, H., and Neumann, M., 1987, Surf. Sci, 185, 187.
289. Fukuda, Y., and Nagosgi, M., 1988, Surf. Sci., 203, L651.
290. Shinn, N. D., 1990, Phys. Rev. B, 41, 9771.
291. Dowben, P. A., Miller, A., Ruppender, H. J., and Grunze, M., 1988, Surf. Sci., 193, 336.
292. Ertt, G., Lee, S. B., and Weiss, M., 1982, Surf. Sci, 1148, 527.
293. Whitmj, L. J., Bartosch, C. E., Ho, W., Strasser, G., and Grunze, M., 1986, Phys. Rev. Lett., 56, 1984.
294. Whitmj, L. J., Bartosch, C. E., and Ho, W., 1986, J. chem. Phys. 85, 3688.
295. Tsai, M. C., Seip, U., Bassignana, I. C., Kuppers, J., and Ertl, G., 1985, Surf. Sci., 155, 387.
296. Haneman, D. H., 1997, Surf. Sci, 375, 71.
297. Hooper, C. W., 1991, Catalytic Ammonia Synthesis (New York: Plenum), p. 253.
298. Ertt, G., 1994, Topics Catal, 1, 305.
299. Spencer, N. D., Schoomaker, R. C., and Somorjai, G. A., 1982, J. Catal., 74, 129.
300. Grunze, M., Golze, M., Fuhler, J., Neumann, M., and Schwarz, E., 1984, Proceedings of the Eighth International Congress on Catalysis, Vol. 4, Berlin, 1984, p. 133.
301. Ertl, G., 1982, CRC Crit. Rev. Solid St. Mater. Sci., 349.
302. Grunze, M., Strasser, G., and Golze, M., 1987, Appl. Phys. A, 44, 19.
303. Dowben, P. A., Ruppender, H. J., and Grunze, M., 1991, Surf. Sci. Lett., 254, L482.
304. Kuwahara, K., Fujisawa, M., Jo, M., Onchi, M., and Nishijima, M., 1988, Surf. Sci., 207, 17.
305. Grunze, M., Driscoll, R. K., Burland, G. N., Cornish, J. C. L., and Pritchard, J., 1979, Surf. Sci., 89, 381.
306. Ho, W., Willis, R. F., and Plummer, E. W., 1980, Surf. Sci, 95, 171.
307. Parks, E. K., and Riley, S. J., 1995, Z. Phys. D, 23, 59.
308. Bozso, F., Ertl, G., Grunze, M., and Weiss, M., 1977, J. Catal., 43, 18.
309. Arumainayagam, C. R., Triupa, C. E., Xu, J., and Yates, J. T., Jr, 1996, Surf. Sci., 360, 121.
310. Stohr, J., and Jaeger, G., 1987, Phys. Rev. B, 26, 4111.
311. Franchy, R., and Bartke, T. U., 1995, Surf. Sci, 322, 95.
312. Seets, D. C., Wheeler, M. C., and Mullins, C. B., 1996, Chem. Phys. Lett., 257, 280.
313. Moler, E. J., Kellar, S. A., Huff, W. R. A., Hussain, Z., Zheng, Y., Hudson, E. A., Chen, Y., and Shirley, D. A., 1997, Chem. Phys. Lett., 264, 502.
314. Schlatholter, T., Schlatholter, T., Vicanek, M., and Heiland, W., 1996, Surf. Sci., 352, 195.
315. Srrz, G. O., Andrew Kummel, C., Zare, R. N., and Tully, J. C., 1988, J. chem. Phys., 89, 2573.
316. Sotto, M., Gauthier, S., Pourmir, F., Rousset, S., and Klein, J., 1997, Surf. Sci., 371, 36.
317. Leibsle, F. M., Flipse C. F. J., and Robinson, A. W., 1994, Surf. Sci., 317, 309.
318. Bertino, M., Steinhogl, W., Range, H., Hofmann, F., Witte, G., Hulpke, E., and Woll, Ch., 1996, Appl. Phys. A, 62, 95.
319. Yoshinobu, J., Zenobi, R., Xu, J., Xu, Z., and Yates, J. T., Jr., 1991, J. chem. Phys, 95, 9393.
320. Rao, C. N., and Ranga Rao, G., 1991, Surf. Sci. Rep., 13, 221.
321. Varma, S., and Dowben, P. A., 1990, J. vac. Sci. Technol. A, 8, 2605.
322. Parks, K., Nieman, G. C., Kerns, K. P., and Riley, S. J., 1997, J. chem. Phys., 107, 1861.
323. Parks, E. K., Zhu, L., Ho, J., and Riley, S.J., 1998, J. chem. Phys. 108, 7206.
324. Parks, E. K., Zhu, L., Ho, J., and Riley, S.J., 1995, J. chem. Phys., 102, 7377.
325. Sotto, M., Gauthier, S., Pourmir, F., Rousset, S., and Klein, J., 1997, Surf. Sci., 371, 36.
326. Leibsle, F. M., and Robinson, A. W., 1993, Phys. Rev. B, 47, 15865.
327. Zeng, H. C., Sodhe, R. N. S., and Mitchell, K. A. R., 1987, Surf. Sci., 188, 599.
328. Parks, E. K., Neman, G. C., Kerns, K. P., and Riley, S. J., 1998, J. chem. Phys., 108, 3731.
329. Parks, E. K., Neman, G. C., Kerns, K. P., and Riley, S. J., 1997, J. chem. Phys., 1207, 1861.
330. Bennich, P., Well, T., Karis, O., Weinelt, M., Wassdahl, N., Nilsson, A., Nyberg, M., Pettersson, L. G. M., Stohr, J., and Samant, M., 1998, Phys. Rev. B, 57, 9274.
331. Minot, C., and Markovits, A., 1998, J. molec. Struct. (Theochem.), 424, 119.
332. Culotta, E., and Koshland, D. E., Jr, 1992, Science, 258, 1862.
333. van Daelen, M. A., Li, Y. S., Newsam, J. M., and van Santen, R. A., 1996, J. phys. Chem., 100, 2279.
334. Newenhuys, B. E., 1983, Surf. Sci., 126, 307.
335. Smith, G., and Carter, E. A., 1991, J. phys. Chem., 95, 2327.
336. Ludviksson, A., Huang, C., Jansch, H. J., and Martin, R. M., 1993, Surf. Sci., 284, 328.
337. Duarte, H. A., and Salahub, D. R., 1997, J. phys. Chem. B, 101, 7474.
338. Root, T., Schmidt, L. D., and Fisher, G. B., 1983, Surf. Sci., 134, 30.
339. Oh, S. H., Fisher, G. B., Carpenter, J. E., and Goodman, D. W., 1986, J. Catal., 100, 360.
340. Shelef, M., and Graham, G. W., 1994, Cal. Rev. Sci. Engng, 36, 433.
341. Blanse, B., Wickham, D. T., and Koel, B. E., 1989, J. Catal., 119, 238.
342. Fink, T., Dath, J. P., Basset, M. R., Imbihl, R., and Ertl, G., 1991, Surf. Sci., 245, 96.
343. Thomas, J. L. C., Bauschlicher, C. W., Jr., and Hall, M. B., 1979, J. Phys. Chem., A101, 8530.
344. Conrad, H., Ertl, G., Kuppers, J., and Latta, E. E., 1975, Surf. Sci., 50, 296.
345. Eastman, D. E., and Demuth, J. E., 1974, Jap. J. appl. Phys., Suppl 2, Part 2, 827.
346. Netzer, F., and Madey, T., 1981, Surf. Sci., 110, 251.
347. Botzo, F., Arias, J., Yates, J. T., Jr, Martin, R. M., and Metiu, H., 1983, Chem. Phys. Lett, 94, 243.
348. Price, G. L., and Baker, B. G., 1980, Surf. Sci., 91, 571.
349. Brundle, C. R., and Curley, A. F., 1975, Discuss. Faraday Soc., 60, 51.
350. Batra, I. P., and Brundle, C. R., 1976, Surf. Sci, 57, 12.
351. Umbach, E., Kulkarni, S., Feulner, P., and Menzel, D., 1979, Surf. Sci., 88, 65.
352. Bonzel, H. P., and Fischer, T. E., 1975, Surf. Sci., 51, 213.
353. Johnson, D. W., Matloob, M. H., and Roberts, M. W., 1979, J. chem. Soc., Faraday Trans. I, 75, 2143.
354. Ibottson, D. E., Wittrig, T. S., and Weinberg, W. H., 1981, Surf. Sci., 110, 294.
355. Kanski, J., and Rhodin, T. N., 1977, Surf. Sci, 65, 63.
356. Fukuda, Y., Honda, F., and Abalais, J. W., 1980, Surf. Sci., 99, 289.
357. Ducros, R., Alnot, M., Ehrardt, J. J., Housley, M., Piquard, G., and Cassetto, A., 1980, Surf. Sci, 94, 154.
358. Kishi, K., and Roberts, M. W., 1976, Proc. R. Soc. A, 352, 289.
359. Fukuda, Y., 1981, Surf. Sci, 104, L234.
360. Baird, R. J., Ku, R. C., and Wynblatt, R., 1980, Surf. Sci, 97, 356.
361. Matsumoto, Y., Onishi, T., and Tamaru, K., 1980, J. chem. Soc., Faraday Trans I, 76, 1116.
362. Conrad, H., Ertl, G., Kuppers, J., and Latta, E. E., 1977, Surf. Sci., 65, 235.
363. Bonzel, H. P., and Pirug, G., 1977, Surf. Sci, 62, 45.
364. Masel, R. I., Umbach, E., Fuggle, J. C., and Menzel, D., 1979, Surf. Sci., 79, 26.
365. Schicchl, A., and Rosch, N., 1984, Surf. Sci., 137, 261.
366. Balkenende, A. R., Gijzemann, A. L., and Geiu, J. W., 1989, Appl. Surf. Sci., 37, 189.
367. Balkenende, A. R., Daas, H., Huisman, M., Gijzeman, A. L., and Geis, J. W., 1991, Appl. Surf. Sci., 47, 351.
368. Shustorovich, E., and Bell, A. T., 1993, Surf. Sci., 289, 127.
369. Shustorovich, E., 1990, Adv. Catal, 37, 101.
370. Gland, J. J., and Sexton, B. A., 1980, Surf. Sci., 94, 355.
371. Root, T. W., Fisher, G. B., and Schmidt, L. D., 1986, J. chem. Phys., 85, 4679.
372. Conrad, H., Scala, R., Stenzel, W., and Unwin, R., 1984, Surf. Sci., 145, 1.
373. Tatarenko, S., Alnot, M., and Ducros, R., 1985, Surf. Sci., 163, 249.
374. Sung, S. S., Hoffmann, R., and Thiel, P. A., 1986, J. phys. Chem., 90, 1380.
375. Breitschafter, M. J., Umbach, E., and Menzel, D., 1981, Surf. Sci., 109, 493.
376. Netzer, F. P., and Madey, T. E., 1981, Surf. Sci, 110, 251.
377. Steinruch, H. P., Schneder, C., Heimann, P. A., Pache, T., Umbach, E., and Menzel, D., 1989, Surf. Sci., 208, 136.
378. Bozso, F., Arias, J., Hanraham, C. P., Yates, J. T., Jr, Martin, R. M., and Metiu, H., 1984, Surf. Sci, 141, 591.
379. Asensio, M. C., Woodruff, D. P., Robinson, A. W., Schindleir, K. M., Gardner, P., Ricken, D., Bradshaw, A. M., Conesa, J. C., and Gonzalez-Elipe, A. R., 1992, Chem. Phys. Lett., 192, 259.
380. Caputi, L. S., Agostino, R. G., Amoddeo, A., Cola vita, E., and Santaniello, A., 1993, Surf. Sci, 282, 62.
381. Neyman, K. M., and Rosch, N., 1994, Surf. Sci., 307, 1193.
382. Caputi, L. S., Agostino, R. G., Amoddeo, A., Cola vita, E., and Santaniello, A., 1993, Surf. Sci, 289, L591.
383. Muller, H., Dierks, B., Hamza, F., Zagatta, G., Fecher, G. H., Bowering, N., and Heinzmann, U., 1992, Surf. Sci., 269, 207.
384. Fink, Th., Dath, J. P., Bassett, M. R., Imbihl, R., and Ertl, G., 1991, Surf. Sci, 245, 96.
385. Neyman, K. M., and Rosch, N., 1993, Surf. Sci., 287, 64.
386. Behm, R. J., and Brundel, C. R., 1984, J. vac. Sci. Technol. A, 2, 1040.
387. So, S. K., Francy, R., and Ho, W., 1989, J. chem. Phys, 91, 5701.
388. Edamoto, K., Maeemma, S., Miyazaki, E., Miyahara, T., and Kato, H., 1988, Surf. Sci., 204, L739.
389. Bagus, P. S., and Illas, F., 1994, Chem. Phys. Lett., 224, 576.
390. Jakob, P., Stichler, M., and Menzel, D., 1997, Surf. Sci., 370, L185.
391. von Glan, R. E., and Korte, U., 1997, Surf. Sci, 375, 353.
392. Kinnersley, A. D., Darling, G. R., and Holloway, S., 1997, Surf. Sci., 377, 567.
393. Loffreda, D., Simon, D., and Sautel, P., 1998, J. chem. Phys., 108, 6447.
394. Mannstadt, W., and Freeman, A., 1995, Phys. Rev. B, 51, 14616.
395. Colonell, J. I., Gibson, K. D., and Sibener, S. J., 1996, J. chem. Phys., 104, 6822.
396. Loffreda, D., Simon, D., and Sautet, P., 1988, J. chem. Phys., 108, 6447.
397. Borg, J. J., Reijersde, J. F. C. J. M., van Santen, R. A., and Niemantsverdriet, J. W., 1994, J. chem. Phys., 101, 10052.
398. Upton, T. H., Stevens, P., and Maddix, R. J., 1988, J. chem. Phys., 88, 3988.
399. Mannstadt, W. A., and Freeman, A., 1995, Phys. Rev. B, 51, 14616.
400. Panas, I., Siegbahn, P., and Wahlgren, U., 1989, J. chem. Phys., 90, 6791.
401. Hashizume, T., Taniguchi, M., Motai, K., Lu, H., Tanaka, K., and Sakurai, T., 1991, Jap. J. appl. Phys., 30, L1529.
402. Selmani, A., Andzelm, J. and Salahub, D. R., 1986, Int. J. quant. Chem., 29, 829.
403. Kirchner, E. J. J., Baerends, E. J., van Slooten, U., and Kleyn, A. W., 1992, J. chem. Phys, 97, 3821.
404. Bahrim, B., Billy, D. T., and Gauyacq, J. P., 1996, J. chem. Phys., 104, 10014.
405. Schennach, R., and Bechtold, E., 1996, Surf. Sci., 369, 277.
406. Finlay, R. J., Her, T. H., Wu, C., and Mazur, E., 1997, Chem. Phys. Lett, 274, 499.
407. Bagus, P. S., and Illas, F., 1990, Phys. Rev. B, 42, 10852.
408. Buatier de Mongeot, F., Rocca, M., Cupolillo, A., and Valbusa, U., 1997, J. chem. Phys, 106, 711.
409. Kamath, P. V., and Rao, C. N. R., 1984, J. phys. Chem, 88, 464.
410. Prince, K. C., Paolucci, G., and Bradshaw, A. M., 1986, Surf. Sci., 175, 101.
411. Backx, C., De Groot, C. P. M., and Biloen, P., 1981, Surf. Sci., 104, 300.
412. Spitzer, A., and Luth, H., 1982, Surf. Sci., 118, 121.
413. Rao, C. N. R., Kamath, P. V., and Yashonath, S., 1982, Chem. Phys. Lett., 88.
414. Guest, R. J., Hernnas, B., Bennich, P., Bjorneholm, O., Nilsson, A., Palmer, R. E., and Martensson, N., 1992, Surf. Sci., 278, 239.
415. Besenbacher, F., and Norskov, J. K., 1993, Prof. Surf. Sci., 44, 1.
416. Campbell, C. T., and Paffett, M. T., 1984, Surf. Sci., 139, 396.
417. Schennach, R., and Bechtold, E., 1996, Surf. Sci., 369, 277.
418. Borg, A., Hilmen, A. M., and Bergene, E., 1994, Surf. Sci., 306, 10.
419. Guo, X., Bradley, J. M., Hopkinson, A., and Kdjg, D. A., 1994, Surf. Sci., 310, 163.
420. Sexton, B. A., and Madix, R. J., 1980, Chem. Phys. Lett., 76, 294.
421. Ososvskh, V. D., Lptushinskii, Y. G., Sukretoyi, V. G., Chuikov, B. A., Medvedev, V. K., and Suchorski, Y., 1977, Surf. Sci., 377, 1664.
422. Matsumoto, Y., Aibara, Y., Mukai, K., Moriwaki, K., Okawa, Y., Nieuwenhuys, B. E., and Tanaka, K., 1997, Surf. Sci., 377, 32.
423. Arabczyk, W., and Narkiewicz, U., 1997, Surf. Sci., 377, 578.
424. Kundrotas, P. J., Lapinskas, S., and Rosengren, A., 1997, Surf. Sci., 377, 7.
425. Wheller, M. C., Seets, D. C., and Mullins, C. B., 1996, J. chem. Phys., 105, 1572.
426. Wang, C., Tobin, R. G., Lambert, D. K., DiMaggio, C. L., and Fisher, G. B., 1997, Surf. Sci., 327, 267.
427. Wang, C., and Gomer, R., 1979, Surf. Sci, 84, 329.
428. Rettner, C.T., De Louise, L. A., and Auterbach, D. J., 1986, J. chem. Phys., 85, 1131.
429. Luntz, A. C., Wnxiams, M. D. and Bethume, D. S., 1988, J. chem. Phys., 89, 4381.
430. Fisher, G. B., 1997, Surf. Sci., 372, 267.
431. Bradley, J. M., Guo, X. C., Hopkinson, A., and King, D. A., 1998, J. chem. Phys., 104, 4283.
432. Blyholder, G., 1975, J. chem. Phys., 62, 3193.
433. Ying, S. C., Smith, J. R., and Kohn, W., 1975, Phys. Rev. B, 11, 1483.
434. Resch, C., Zhukov, V., Lugstein, A., Berger, H. F., Winkler, A., and Rendulic, K. D., 1993, Chem. Phys, 117, 421.
435. Bertolini, J. C., and Tardy, B., 1981, Surf. Sci., 102, 131.
436. Williams, A. K., and Lang, N. D., 1977, Surf. Sci, 68, 136.
437. Itoh, H., 1976, Jap. J. appl. Phys., 15, 2311.
438. Tsang, Y. W., and Falicov, L. M., 1976, J. Phys. C, 9, 71.
439. Saillard, J. Y., and Hoffmann, R., 1984, J. Am. chem. Soc., 106, 2006.
440. Harris, J., and Anderson, S., 1985, Phys. Rev. Lett., 55, 1583.
441. Niu, J., Rao, B. K., and Jena, P., 1992, Phys. Rev. Lett, 68, 2277.
442. Kunz, A. B., Mickisth, D. J., and Deutsch, P. W., 1973, Solid St. Commun., 13, 35.
443. Boland, J. J., 1991, Phys. Rev. Lett., 64, 1539.
444. Szymerska, I., and Lipski, M., 1976, J. Catal., 41, 197.
445. Thomas, S., 1974, Appl. Phys. Lett., 24, 1.
446. Takasu, Y., and Shimizu, H., 1973, J. Catal., 29, 479.
447. Williams, F. L., and Boudart, M., 1973, J. Catal. 30, 438.
448. Bowman, R., Toneman, L. H., and Hölscher, A. A., 1973, Surf. Sci., 35, 8.
449. Van Santen, R. A., and Scahtler, W. M., 1974, J. Catal., 33, 202.
450. Williams, F. L., and Nason, D., 1974, Surf. Sci., 45, 377.
451. Ghiotti, G., Chiorino, A., and Boccuzzi, F., 1993, Surf. Sci., 287, 228.
452. Bird, D. M., Clarke, L. J., Payne, M. C., and Stich, I., 1993, Chem. Phys. Lett., 212, 518.
453. Norskov, J. K., and Houmoller, A., 1981, Phys. Rev. Lett., 46, 257.
454. Muscat, J. P., and Newns, D. M., 1980, Surf. Sci., 99, 609.
455. Ray, A. K., and Hira, A. S., 1987, Phys. Rev. B, 37, 9943.
456. Muscat, J. P., 1981, Surf. Sci., 110, 389.
457. Varma, C. M., and Wilson, A. J., 1980, Phys. Rev. B, 22, 3795.
458. Baetzold, R. C., 1982, Solid St. Commun., 44, 781.
459. Nordländer, P., Holmway, S., and Norskov, J. K., 1984, Surf. Sci., 136, 59.
460. Feibelman, P. J., 1991, Phys. Rev. Lett., 67, 461.
461. Hayden, B. E., and Lamont, C. G., 1991, Surf. Sci., 243, 31.
462. Kroes, G. J., Baerends, E. J., and Mowrey, R. C., 1997, J. chem. Phys, 107, 3309.
463. Butler, D. A., Hayden, B. E., and Jones, J. D., 1994, Chem. Phys. Lett., 217, 423.
464. Berger, H. F., Resch, Ch., Grosslinger, E., Eilmsteiner, G., Wdlkler, A., and Rendulic, K. D., 1992, Surf. Sci. Lett., 275, L627.
465. Muschiol, U., Schmidt, P. K., and Christmann, K., 1998, Surf. Sci., 395, 182.
466. White, J. A., Bird, D. M., and Payne, M. C., 1996, Phys. Rev. B, 53, 1667.
467. Harder, R., Nesbitt, A., Golichowski, A., Herrmann, E. and Snowdon, K. J., 1994, Surf. Sci, 316, 478.
468. Nahm, T. U., and Gomer, R., 1997, Surf. Sci., 375, 281.
469. Muller, J. E. 1992, Surf. Sci, 272, 45.
470. Colonel, J. I., Gibson, K. D., and Sibener, S. J., 1996, J. chem. Phys., 104, 6822.
471. Karikorpi, M., Holloway, S., Henriksen, N., and Norskov, J. K., 1987, Surf. Sci., 179, L41.
472. Feibelman, P. J., 1991, Phys. Rev. Lett. 67, 461.
473. Schroter, L., Kuhenhoff, S., David, R., Brenig, W., and Zacharias, H., 1992, Surf. Sci., 261, 243.
474. Reifsnyder, S. N., Ottern, M. M., Sayers, D. E., and Lamb, H. H., 1997, J. phys. Chem. B, 101, 4972.
475. Wilke, S., and Scheffer, M., 1996, J. Am. chem. Soc., 53, 4926.
476. Gross, A., and Scheffler, M., 1998, Phys. Rev. B, 57, 2493.
477. Muschiol, U., Schmidt, P. K., and Christmann, K., 1998, Surf. Sci., 395, 182.
478. Yanagita, H., Sakai, J., Aruga, T., Takagi, N., and Nishijima, M., 1997, Phys. Rev. B, 56, 14952.