Chapter 5 Theory of adsorption on metal substrates

Handbook of Surface Science

Volumn 2, Issue , 2000, Pages 285-356

  Scheffler, M ^a   Stampfl, C ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 1542355782     PISSN: 15734331     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1573-4331(00)80009-8     Document Type: Chapter

References (164)

1. Adams D.L. Appl. Phys. A 62 (1996) 123
2. Alavi A., Hu P., Deutsch T., Silvestrelli PL., and Hutter J. Phys. Rev. Lett. 80 (1998) 3650
3. Aminpirooz S., Schmalz A., Pangher N., Haase J., Nielsen M.M., Batchelor D.R., Bøgh E., and Adams D.L. Phys. Rev. B 46 (1992) 15594
4. Andersen J.N., Qvarford M., Nyholm R., van Acker J.F., and Lundgren E. Phys. Rev. Lett. 68 (1992) 94
5. Andersen J.N., Hennig D., Lundgren E., Methfessel M., Nyholm R., and Scheffler M. Phys. Rev. B 50 (1994) 17525
6. Antoniewicz P.R. Phys. Status Solidi V 86 (1978) 645
7. Bader R.F.W. Atoms in Molecules. A Quantum Theory. International Series of Monographs on Chemistry Vol. 22 (1990), Oxford University Press, New York
8. Bader R.F.W. Phys. Rev. B 49 (1994) 13348
9. Bagus P.S., Hermann K., Müller W., and Nelin C.J. Phys. Rev. Lett. 57 (1986) 1496
10. Barnes C.J. In: King D.A., and Woodruff D.P. (Eds). Phase Transitions and Adsorbate Restructuring at Metal Surfaces. The Chemical Physics of Solid Surfaces Vol. 7 (1994), Elsevier, Oxford 501
11. Behm R.J. Physics and Chemistry of Alkali Metal Adsorption. In: Bonzel H.P., Bradshaw A.M., and Ertl G. (Eds) (1989), Elsevier, Amsterdam 111
12. Berndt W., Weick D., Stampfl C., Bradshaw A.M., and Scheffler M. Surf. Sci. 330 (1995) 182
13. Bielański A., and Haber J. Oxygen in Catalysis (1991), Dekker, Amsterdam 472
14. Blyholder G. J. Phys. Chem. 68 (1964) 2772
15. Blyholder G. J. Vac. Sci. Technol. 11 (1975) 865
16. Bockstedte M., Kley A., Neugebauer J., and Scheffler M. Comput. Phys. Commun. 107 (1997) 187
17. Bormet J., Neugebauer J., and Scheffler M. Phys. Rev. B 49 (1994) 17242
18. Bormet J., Wenzien B., Neugebauer J., and Scheffler M. Comput. Phys. Commun. 79 (1994) 124
19. Born M., and Oppenheimer R. Ann. Phys. 84 (1927) 457
20. Born M., and Huang K. Dynamical Theory of Crystal Lattices. In: Mott N.F., and Bullard E.C. (Eds) (1954), Clarendon, New York 420
21. Bottcher A., and Niehus. J. Chem. Phys. 110 (1999) 3186
22. Bottcher A., Niehus, Schwegmann S., Over H., and Ertl G. J. Phys. Chem. 101 (1997) 11185
23. accepted. Bottcher A., Rogozia M., Niehus H., Over H., and Ertl G. J. Chem. Phys. (1999)
24. Bradshaw A.M., and Scheffler M. J. Vac. Sci. Technol. 16 (1979) 447
25. Brivio G.P., and Trioni M.I. Rev. Mod. Phys. 71 (1999) 231
26. Bruch L.W., Cole M.W., and Zaremba E. Physical Adsorption: Forces and Phenomena (1997), Clarendon, Oxford
27. Burchhardt J., Nielsen M.M., Adams D.L., Lundgren E., Andersen J.N., Stampfl C., Scheffler M., Schmalz A., Aminpirooz S., and Haase J. Phys. Rev. Lett. 74 (1995) 1617
28. Callaway J. J. Math. Phys. 5 (1964) 783
29. Callaway J. Phys. Rev. 154 (1967) 515
30. Campuzano J.C. In: King D.A., and Woodruff D.P. (Eds). Chemisorption Systems. The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis Vol. 3a (1990), Elsevier, Oxford 389
31. Car R., and Parrinello M. Phys. Rev. Lett. 55 (1985) 2471
32. Cho J.-H., and Scheffler M. Phys. Rev. Lett. 78 (1997) 1299
33. Christensen O.B., and Jacobsen K.W. Phys. Rev. B 45 (1992) 6893
34. Christensen S.V., Nerlov J., Nielsen K., Burchhardt J., Nielsen M.M., and Adams D.L. Phys. Rev. Lett. 76 (1996) 1892
35. Darling G.R., and Holloway S. J. Chem. Phys. 101 (1994) 3268
36. Dreizler R.M., and Gross E.K.U. Density Functional Theory (1990), Springer, Amsterdam
37. Echenique P.M., and Pendry J.B. J. Phys. C 8 (1975) 2936
38. Eichler A., Hafner J., Gross A., and Scheffler M. Phys. Rev. B 59 (1999) 13297
39. Eichler A., Hafner J., Gross A., and Scheffler M. Chem. Phys. Lett. 311 (1999) 1
40. Eichler A., and Hafner J. Phys. Rev. B 59 (1999) 5960
41. Engel T., and Ertl G. J. Chem. Phys. 69 (1979) 1267
42. Adv. Catal. 28 (1982) 1
43. Engel T., and Ertl G. In: King D.A., and Woodruff D.P. (Eds). Fundamental Studies of Heterogenous Catalysis. The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis Vol. 4 (1982), Elsevier, Berlin 73
44. Fasel R., Aebi P., Agostino R.G., Schlapbach L., and Osterwalder J. Phys. Rev. B 54 (1996) 5893
45. Feibelman P.J. Phys. Rev. Lett. 65 (1990) 729
46. Finnis M.W., Kaschner R., Kruse C., Furthmuller J., and Scheffler M. J. Phys.: Condens. Matter 7 (1995) 2001
47. Fiorentini V., Methfessel M., and Scheffler M. Phys. Rev. Lett. 71 (1993) 1051
48. Phys. Rev. Lett. 81 (1998) 2184
49. Ganduglia-Pirovano M.V., Kudrnovský J., and Scheffler M. Phys. Rev. Lett. 78 (1997) 1807
50. Grimley T.B. Prog. Surf. Membr. Sci. 9 (1975) 71
51. Gross A., Wilke S., and Scheffler M. Phys. Rev. Lett. 75 (1995) 2718
52. Gross A., and Scheffler M. Chem. Phys. Lett. 256 (1996) 417
53. Gross A., and Scheffler M. Prog. Surf. Sci. 53 (1996) 187
54. Gross A., Wilke S., and Scheffler M. Surf. Sci. 357/358 (1996) 614
55. Gross A., Bockstedte M., and Scheffler M. Phys. Rev. Lett. 79 (1997) 701
56. Gross A., and Scheffler M. Phys. Rev. B 57 (1998) 2493
57. Gross A. Surf. Sci. Rep. 32 (1998) 291
58. Gsell M., Stichler M., Jacob P., and Menzel D. Israel J. Chem. 38 (1998) 339
59. Gurney R.W. Phys. Rev. 47 (1935) 479
60. Hammer B., Scheffler M., Jacobsen K.W., and Nørskov J.K. Phys. Rev. Lett. 73 (1994) 1400
61. Hammer B., and Scheffler M. Phys. Rev. Lett. 74 (1995) 3487
62. Hammer B., and Nørskov J.K. Chemisorption and Reactivity on Supported Clusters and Thin Films. In: Lambert R.M., and Pacchioni. G. (Eds) (1997), Kluwer, Amsterdam 285
63. Heine V., and Marks D. Surf. Sci. 115 (1986) 65
64. Hennig D., Ganduglia-Pirovano M.V., and Scheffler M. Phys. Rev. B 53 (1996) 10344
65. Hermann K., and Bagus P.S. Phys. Rev. B 16 (1977) 4195
66. Hermann K., Bagus P.S., and Nelin C.J. Phys. Rev. B 35 (1987) 9467
67. Hjelmberg H., Lundqvist B.I., and Nørskov J.K. Phys. Scr. 20 (1979) 192
68. Hofmann P., von Muschwitz C., Horn K., Jacobi K., Bradshaw A.M., Kambe K., and Scheffler M. Suri. Sci. 89 (1979) 327
69. Hoffmann R. Rev. Mod. Phys. 60 (1988) 601
70. Horn K., Scheffler M., and Bradshaw A.M. Phys. Rev. Lett. 41 (1978) 822
71. Hu P., King D.A., Lee M.-H., and Payne M.C. Chem. Phys. Lett. 246 (1995) 73
72. Jacobi K., von Muschwitz C., and Kambe K. Surf. Sci. 93 (1980) 310
73. Janak J.F. Phys. Rev. B 18 (1978) 7165
74. Jennings P.J. Surf. Sci. 88 (1979) L25
75. Kambe K., and Scheffler M. Surf. Sci. 89 (1979) 262
76. Kim Y.D., Wendt S., Schwegmann S., Over H., and Ertl G. Surf. Sci. 418 (1998) 267
77. Kleinman L. Phys. Rev. B 56 (1997) 16029
78. Kohn W., and Lau K.H. Solid State Commun. 18 (1976) 553
79. Rostov K.L., Rauscher H., and Menzel D. Surf. Sci. 278 (1992) 62
80. Rostov K.L., Gsell M., Jakob P., Moritz T., Widdra W., and Menzel D. Surf. Sci. 394 (1997) L138
81. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
82. Kroes G.J., Baerends E.J., and Mowrey R.C. Phys. Rev. Lett. 78 (1997) 3583
83. Phys. Rev. Lett. 81 (1998) 4781
84. Kroes G.J. Prog. Surf. Sci. 60 (1999) 1
85. Lang N.D., and Kohn W. Phys. Rev. B 3 (1971) 1215
86. Lang N.D. Phys. Rev. B 4 (1971) 4234
87. Lang N.D. Solid State Phys. 28 (1973) 225
88. Lang N.D., and Williams A.R. Phys. Rev. B 16 (1977) 2408
89. Lang N.D., and Williams A.R. Phys. Rev. B 18 (1978) 616
90. Langmuir I. J. Am. Chem. Soc. 54 (1932) 2798
91. Liebsch A. Phys. Rev. B 17 (1978) 1653
92. Lindroos M., Pfnur H., Held G., and Menzel D. Surf. Sci. 222 (1989) 451
93. McRae E.G. Surf. Sci. 25 (1971) 491
94. Methfessel M., Hennig D., and Scheffler M. Phys. Rev. B 46 (1992) 4816
95. Methfessel M., Hennig D., and Scheffler M. Appl. Phys. A 55 (1992) 442
96. Methfessel M., Hennig D., and Scheffler M. Surf. Rev. Lett. 2 (1995) 197
97. Miller A.R. Proc. Cambridge Philos. Soc. 42 (1946) 492
98. Mitchell W.J., and Weinberg W.H. J. Chem. Phys. 104 (1996) 9127
99. Muscat J.P., and Newns D.M. Prog. Surf. Sci. 9 (1978) 1
100. Muscat J.P., and Newns D.M. Phys. Rev. B 19 (1979) 1270
101. Narloch B., Held G., and Menzel D. Surf. Sci. 317 (1994) 131
102. Narloch B., Held G., and Menzel D. Surf. Sci. 340 (1995) 159
103. Naumovets A.G. In: King D.A., and Woodruff D.R. (Eds). Phase Transitions and Adsorbate Restructuring at Metal Surfaces. The Chemical Physics of Solid Surfaces Vol. 7 (1994), Elsevier, Dordrecht 163
104. Neugebauer J., and Scheffler M. Phys. Rev. B 46 (1992) 16067
105. Neugebauer J., and Scheffler M. Phys. Rev. Lett. 71 (1993) 577
106. Nilsson A., Wassdahl N., Weinelt M., Karis O., Weill T., Bennich P., Hasselstrom J., Fohlisch A., Stohr J., and Samant M. Appl. Phys. A 65 (1997) 147
107. Nørskov J.K. Rep. Prog. Phys. 53 (1990) 1253
108. Nouvertné R., May U., Bamming M., Rampe A., Korte U., Guntherodt G., Pentcheva R., and Scheffler M. Phys. Rev. B 60 (1999) 14382
109. Oppo S., Fiorentini V., and Scheffler M. Phys. Rev. Lett. 71 (1993) 2437
110. Over H., Bludau H., Gierer M., and Ertl G. Surf. Rev. Lett. 2 (1995) 409
111. Palmberg P.W. Surf. Sci. 25 (1971) 598
112. Paul J. J. Vac. Sci. Technol. A 5 (1987) 664
113. Pauling L. The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry (1960), Cornell University Press, Amsterdam
114. Payne M.C., Teter M.P., Allan D.C., Arias T.A., and Joannopoulos J.D. Rev. Mod. Phys. 64 (1992) 1045
115. Payne M.C., Robertson I.J., Thomson D., and Heine V. Philos. Mag. B 73 (1996) 191
116. Peden C.H.F., Goodman D.W., Weisel M.D., and Hoffmann F.M. Surf. Sci. 253 (1991) 44
117. Peden C.H.F., and Goodman D.W. J. Phys. Chem. 90 (1986) 1360
118. Washington DC. Peden C.H.F. Surface Science of Catalysis. Situ Probes and Reaction Kinetics. In: Dwyer D.J., and Hoffmann F.M. (Eds). Am. Chem. Soc (1992)
119. Pedersen M.O., Bonicke I.A., Laegsgaard E., Stensgaard I., Ruban A., Nørskov J.K., and Besenbacher F. Surf. Sci. 387 (1997) 86
120. in print. Pentcheva R., and Scheffler M. Phys. Rev. B (2000)
121. Perdew J.P., and Levy M. Phys. Rev. B 56 (1997) 16021
122. Petersen M., Ruggerone P., and Scheffler M. Phys. Rev. Lett. 76 (1996) 995
123. Phys. Rev. B (2000)
124. Pleth Nielsen L., Besenbacher F., Stensgaard I., Laegsgaard E., Engdahl C., Stoltze P., Jacobsen K.W., and Nørskov J.K. Phys. Rev. Lett. 71 (1993) 754
125. Porteus J.O. Surf. Sci. 41 (1974) 515
126. Rader O., Gudat W., Carbone C., Vescovo E., Bliigel S., Kläsges R., Eberhardt W., Wuttig M., Redinger J., and Himpsel F.J. Phys. Rev. B 55 (1997) 5404
127. Rendulic K.D., Anger G., and Winkler A. Surf. Sci. 208 (1989) 404
128. Robertson I.J., Thomson D.I., Heine V., and Payne M.C. J. Phys. Condens. Matter 6 (1994) 9963
129. Scheffler M., Kambe K., and Forstmann F. Solid State Commun. 25 (1978) 93
130. Scheffler M., Horn K., Bradshaw A.M., and Kambe K. Surf. Sci. 80 (1979) 69
131. Scheffler M., and Bradshaw A.M. In: King D.A., and Woodruff D.R. (Eds). Adsorption at Solid Surfaces. The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis Vol. 2 (1983), Elsevier 165
132. Scheffler M., Droste Ch., Fleszar A., Maca F., Wachutka G., and Barzel G. Physica B 172 (1991) 143
133. Schiffer A., Jakob P., and Menzel D. Surf. Sci. 389 (1997) 116
134. Schmalz A., Aminpirooz S., Becker L., Haase J., Neugebauer J., Scheffler M., Batchelor D.R., Adams D.L., and Bøgh E. Phys. Rev. Lett. 67 (1991) 2163
135. Seyller T., Caragiu M., Diehl R.D., Kaukasoina P., and Lindroos M. Chem. Phys. Lett. 291 (1998) 567
136. Skriver H. Phys. Rev. B. 31 (1985) 1909
137. Somorjai G.A., and Van Hove M.A. Prog. Surf. Sci. 30 (1989) 201
138. Spanjaard D., and Desjonqueres M.C. Interaction of Atoms and Molecules with Surfaces. In: Bortolani V., March N.H., and Tosi N.R. (Eds) (1990), Plenum, Amsterdam 255
139. A special issue of Surface Review and Letters devoted to alkali-metal adsorption, containing review articles by several groups. SRL. Surf. Rev. Lett. 2 (1995) 315
140. Stampfl C., Scheffler M., Over H., Burchhardt J., Nielsen M., Adams D.L., and Moritz W. Phys. Rev. Lett. 69 (1992) 1532
141. Stampfl C., Scheffler M., Over H., Burchhardt J., Nielsen M., Adams D.L., and Moritz W. Phys. Rev. B 49 (1994) 4959
142. Stampfl C., Neugebauer J., and Scheffler M. Surf. Sci. 307/309 (1994) 8
143. Stampfl C., and Scheffler M. Surf. Sci. 319 (1994) L23
144. Stampfl C., and Scheffler M. Surf. Rev. Lett. 2 (1995) 317
145. Stampfl C., and Scheffler M. Phys. Rev. B 54 (1996) 2868
146. Stampfl C. Surf. Rev. Lett. 3 (1996) 1567
147. Stampfl C., Schwegmann S., Over H., Scheffler M., and Ertl G. Phys. Rev. Lett. 77 (1996) 3371
148. Stampfl C., and Scheffler M. Phys. Rev. Lett. 78 (1997) 1500
149. J. Vac. Sci. Technol. A 15 (1997) 1635
150. Surf. Sci. (1997) 377-379
151. Stampfl C., Kambe K., Fasel R., Aebi P., and Scheffler M. Phys. Rev. B 57 (1998) 15251
152. Stampfl C., and Scheffler M. Israel J. Chem. 38 (1998) 409
153. 119. Stampfl C., and Scheffler M. Surf. Sci. (1999) 433-435
154. Taylor J.B., and Langmuir I. Phys. Rev. 44 (1933) 423
155. Topping J. Proc. Roy. Soc. London Ser. A 114 (1927) 67
156. Wang X.-G., Weiss W., Shaikhutdinov Sh.K., Ritter M., Petersen M., Wagner F., Schlogl R., and Scheffler M. Phys. Rev. Lett. 81 (1998) 1038
157. Wilke S., and Scheffler M. Phys. Rev. B 53 (1996) 4926
158. Wilke S., Cohen M.H., and Scheffler M. Phys. Rev. Lett. 77 (1996) 1560
159. Wenzien B., Bormet J., Neugebauer J., and Scheffler M. Surf. Sci. 287/288 (1993) 559
160. Wenzien B., Bonnet J., and Scheffler M. Comput. Phys. Commun. 88 (1995) 230
161. Wimmer E., Fu C.L., and Freeman A.J. Phys. Rev. Lett. 55 (1985) 2618
162. Xie J., de Gironcoli S., Baroni S., and Scheffler M. Phys. Rev. B 59 (1999) 970
163. Yang, L., G. Vielsack and M. Scheffler, 1994, unpublished.
164. Yu B.D., and Scheffler M. Phys. Rev. B 56 (1997) R15569