Chemical bonding of water to metal surfaces studied with core-level spectroscopies

Journal of Electron Spectroscopy and Related Phenomena

Volumn 177, Issue 2-3, 2010, Pages 85-98

  Schiros, T ^a,b   Andersson, K J ^b,c   Pettersson, L G M ^b   Nilsson, A ^a,b   Ogasawara, H ^a  

^a SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^b STOCKHOLM UNIVERSITY   (Sweden)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Hydrogen bond; Surface; Water; X ray spectroscopy

Indexed keywords

CHEMICAL BONDINGS; CONTACT LAYERS; CORE LEVEL SPECTROSCOPY; ENVIRONMENTAL SCIENCE; GEOMETRICAL PARAMETERS; HETEROGENEOUS CATALYSIS; LOCAL ATOMIC STRUCTURES; LOCAL DENSITY OF STATE; METAL INTERACTIONS; METAL SURFACES; SPECIFIC INFORMATION; TRANSITION METAL SURFACES; WATER CONTACTS; WATER MONOLAYERS; X RAY EMISSION SPECTROSCOPY;

ABSORPTION SPECTROSCOPY; ATOMIC SPECTROSCOPY; CATALYSIS; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; MOLECULAR ORIENTATION; MONOLAYERS; TRANSITION METALS; WATER ABSORPTION; X RAY SPECTROSCOPY;

X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 77950537214     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.elspec.2009.09.009     Document Type: Article

References (106)

1. Henderson M. Surf. Sci. Rep. 46 (2002) 1
2. Thiel P., and Madey T. Surf. Sci. Rep. 7 (1987) 211
3. Kimmel G.A., Petrik N.G., Dohnálek Z., and Kay B.D. Phys. Rev. Lett. 95 (2005) 166102
4. Kimmel G.A., Petrik N.G., Dohnálek Z., and Kay B.D. J. Chem. Phys. 126 (2007) 114702
5. Andersson K., Gómez A., Glover C., Nordlund D., Öström H., Schiros T., Takahashi O., Ogasawara H., Pettersson L.G.M., and Nilsson A. Surf. Sci. 585 (2005) 183
6. Bange K., Grider D.E., Madey T.E., and Sass J.K. Surf. Sci. 136 (1984) 38
7. Mariani C., and Horn K. Surf. Sci. 126 (1983) 279
8. Polak M. Surf. Sci. 321 (1994) 249
9. Spitzer A., and Luth H. Surf. Sci. 120 (1982) 376
10. Kolovos-Vellianitis D., and Küppers J. J. Phys. Chem. B 107 (2003) 2559
11. Hinch B.J., and Dubois L.H. Chem. Phys. Lett. 181 (1991) 10
12. Hinch B.J., and Dubois L.H. J. Chem. Phys. 96 (1992) 3262
13. Faradzhev N.S., Kostov K.L., Feulner P., Madey T.E., and Menzel D. Phys. Rev. Lett. 415 (2005) 165
14. Andersson K., Nikitin A., Pettersson L.G.M., Nilsson A., and Ogasawara H. Phys. Rev. Lett. 93 (2004) 196101
15. Haq S., Clay C., Darling G.R., Zimbitas G., and Hodgson A. Phys. Rev. B 73 (2006) 115414
16. Michaelides A., and King D.A. Phys. Rev. B 69 (2004) 113404
17. Meng S., Xu L.F., Wang E.G., and Gao S. Phys. Rev. Lett. 89 (2002) 176104
18. Meng S., Wang E.G., Frischkorn C., Wolf M., and Gao S. Chem. Phys. Lett. 402 (2005) 384
19. Feibelman P.J. Science 295 (2002) 99
20. Ogasawara H., Brena B., Nordlund D., Nyberg M., Pelmenschikov A., Pettersson L.G.M., and Nilsson A. Phys. Rev. Lett. 89 (2002) 276102
21. Denzler D.N., Hess C., Dudek R., Wagner S., Frischkorn C., Wolf M., and Ertl G. Chem. Phys. Lett. 376 (2003) 618
22. Schiros T., Haq S., Ogasawara H., Takahashi O., Öström H., Andersson K., Pettersson L.G.M., Hodgson A., and Nilsson A. Chem. Phys. Lett. 429 (2006) 415
23. Vassilev P., Santen R.A.v., and Koper M.T.M. J. Chem. Phys. 122 (2005) 054701
24. Taylor C., Kelly R.G., and Neurock M. J. Electrochem. Soc. 153 (2006) E207
25. Filhol J.-S., and Neurock M. Angew. Chem. Int. Ed. 45 (2006) 402
26. Sanchez C.G. Surf. Sci. 527 (2003) 1
27. Michaelides A., Ranea V.A., de Andres P.L., and King D.A. Phys. Rev. Lett. 90 (2003) 216102
28. Meng S., Wang E.G., and Gao S. Phys. Rev. B 69 (2004) 195404
29. T. Schiros, O. Takahashi, K. Andersson, H. Öström, L.G.M. Pettersson, A. Nilsson, H. Ogasawara, J. Chem. Phys. submitted for publication.
30. Hammer B., and Nørskov J. Surf. Sci. 343 (1995) 211
31. Michaelides A., and Morgenstern K. Nat. Mater. 6 (2007) 597
32. Nilsson A. J. Electron Spectrosc. Relat. Phenom. 126 (2002) 3
33. Sandell A., Hjortstam O., Nilsson A., Brühwiler P., Eriksson O., Bennich P., Rudolf P., Wills J.M., Johansson B., and Mårtensson N. Phys. Rev. Lett. 78 (1997) 4994
34. Öström H. Chemical Bonding of Hydrocarbons to Metal Surfaces (2004), Stockholm University, Stockholm
35. Nilsson A., Stenborg A., Tillborg H., Gunnelin K., and Mårtensson N. Phys. Rev. B 47 (1993) 13590
36. Mårtensson N., and Nilsson A. J. Electron Spectrosc. Relat. Phenom. 75 (1996) 209
37. Stöhr: J. NEXAFS Spectroscopy (1992), Springer-Verlag, Berlin Heidelberg
38. Nilsson A., and Mårtensson N. Phys. B 208, 209 (1995) 19
39. von Barth U., and Grossmann G. Phys. Rev. B 25 (1982) 5150
40. Stöhr J., Sette F., and Johnson A.L. Phys. Rev. Lett. 53 (1984) 1684
41. Nilsson A., Wassdahl N., Weinelt M., Karis O., Wiell T., Bennich P., Hasselström J., Föhlisch A., Stöhr J., and Samant M. Appl. Phys. A 65 (1997) 147
42. Nilsson A., and Pettersson L.G.M. Surf. Sci. Rep. 55 (2004) 49
43. Nilsson A., Hasselström J., Föhlisch A., Karis O., Pettersson L.G.M., Nyberg M., and Triguero L. J. Electron Spectrosc. Relat. Phenom. 110-111 (2000) 15
44. Nilsson A., Bennich P., Wiell T., Wassdahl N., Mårtensson N., Nordgren J., Björneholm O., and Stöhr J. Phys. Rev. B 51 (1995) 10244
45. Follath R., and Senf F. Nucl. Inst. Meth. Phys. Res. A 390 (1997) 388
46. T. Warwick, D. Shuh, ALS internal note LBL October, 1999, 536.
47. Marks S., Cortopassi C., DeVries J., Hoyer E., Leinbach R., Minamihara Y., Padmore H., Pipersky P., Plate D., Schleuter R., and Young A. Particle Accel. Conf. Vancouver, Canada (1997)
48. Denecke R., Väterlein P., Bässler M., Wassdahl N., Butorina S., Nilsson A., Rubensson J.-E., Nordgren J., Mårtensson N., and Nyholm R. J. Electron Spectrosc. Relat. Phenom. 101-103 (1999) 971
49. Bluhm H., Andersson K., Araki T., Benzerara K., Brown G.E., Dynes J.J., Ghosal S., Gilles M.K., Hansen H.-C., Hemminger J.C., Hitchcock A.P., Ketteler G., Kilcoyne A.L.D., Kneedler E., Lawrence J.R., Leppard G.G., Majzlam J., Mun B.S., Myneni S.C.B., Nilsson A., Ogasawara H., Ogletree D.F., Pecher K., Salmerón M., Shuh D.K., Tonner B., Tyliszczak T., Warwick T., and Yoon T.H. J. Electron Spectrosc. Relat. Phenom. 150 (2006) 86
50. Andersson K., Ketteler G., Bluhm H., Yamamoto S., Ogasawara H., Pettersson L.G.M., and Salmerón M. J. Am. Chem. Soc. 130 (2008) 2793
51. Andersson K., Ketteler G., Bluhm H., Yamamoto S., Ogasawara H., Pettersson L.G.M., Salmerón M., and Nilsson A. J. Phys. Chem. C 111 (2007) 14493
52. Yamamoto S., Andersson K., Bluhm H., Ketteler G., Starr D., Schiros T., Pettersson L.G.M., Salmerón M., Ogasawara H., and Nilsson A. J. Phys. Chem. C 22 (2007) 784
53. Dacapo pseudopotential code, URL: https://wiki.fysik.dtu.dk/dacapo, Center for Atomic-scale Materials Design (CAMD), Technical University of Denmark, Lyngby, 2009.
54. K. Hermann, L.G.M. Pettersson, M.E. Casida, C. Daul, A. Goursot, A. Koester, E. Proynov, A. St-Amant, D.R. Salahub, V. Carravetta, A. Duarte, N. Godbout, J. Guan, C. Jamorski, M. Leboeuf, M. Leetmaa, M. Nyberg, L. Pedocchi, F. Sim, L. Triguero, A. Vela, StoBe-deMon. deMon Software Stockholm-Berlin, 2005.
55. Triguero L., and Pettersson L.G.M. Surf. Sci. 398 (1998) 70
56. T. Schiros, H. Ogasawara, K. Andersson, L.-Å. Näslund, S. Meng, J. Ren, G.S. Karlberg, M. Odelius, L.G.M. Pettersson, A. Nilsson, submitted for publication.
57. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
58. Triguero L., Pettersson L.G.M., and Ågren H. Phys. Rev. B 58 (1998) 8097
59. Slater J.C. Adv. Quant. Chem. 6 (1972) 1
60. Slater J.C., and Johnsson K.H. Phys. Rev. B 5 (1972) 844
61. Takahashi O., and Pettersson L.G.M. J. Chem. Phys. 121 (2004) 10339
62. Ågren H., Carravetta V., Vahtras O., and Pettersson L.G.M. Theoret. Chem. Acc. 97 (1997) 14
63. Triguero L., Plashkevych O., Pettersson L.G.M., and Ågren H. J. Electron Spectrosc. Relat. Phenom. 104 (1999) 195
64. Kolczewski C., Püttner R., Plashkevych O., Ågren H., Staemmler V., Martins M., Snell G., Schlachter A.S., Sant'Anna M., Kaindl G., and Pettersson L.G.M. J. Chem. Phys. 115 (2001) 645
65. Wernet P., Nordlund D., Bergmann U., Ogasawara H., Cavalleri M., Näslund L.A., Hirsch T.K., Ojamäe L., Glatzel P., Odelius M., Pettersson L.G.M., and Nilsson A. Science 304 (2004) 995
66. Becke A.D. Phys. Rev. A 38 (1988) 3098
67. Perdew J.P. Phys. Rev. B 34 (1986) 7406
68. Föhlisch A., Hasselström J., Bennich P., Wassdahl N., Karis O., Nilsson A., Triguero L., Nyberg M., and Pettersson L.G.M. Phys. Rev. B 61 (2000) 16229
69. Triguero L., Pettersson L.G.M., and Ågren H. J. Phys. Chem. A 102 (1998) 10599
70. Bagus P.S., Hermann K., and Bauschlicher C.W. J. Chem. Phys. 80 (1984) 4378
71. Bagus P.S., Hermann K., and Bauschlicher C.W. J. Chem. Phys. 81 (1984) 1966
72. Doering D.L., and Madey T.E. Surf. Sci. 123 (1982) 305
73. Björneholm O., Nilsson A., Tillborg H., Bennich P., Sandell A., Hernnäs B., Puglia C., and Mårtensson N. Surf. Sci. 315 (1994) L983
74. Schiros T., Näslund L.-A., Andersson K., Gyllenpalm J., Karlberg G.S., Odelius M., Ogasawara H., Pettersson L.G.M., and Nilsson A. J. Phys. Chem. C 111 (2007) 15003
75. Myneni S., Luo Y., Näslund L.-A., Cavalleri M., Ojamäe L., Ogasawara H., Pelmenschikov A., Wernet P., Väterlein P., Heske C., Hussain Z., Pettersson L.G.M., and Nilsson A. J. Phys.: Condens. Matter 14 (2002) L213
76. Cavalleri M., Ogasawara H., Pettersson L.G.M., and Nilsson A. Chem. Phys. Lett. 364 (2002) 363
77. Nordlund D., Ogasawara H., Wernet P., Nyberg M., Odelius M., Pettersson L.G.M., and Nilsson A. Chem. Phys. Lett. 395 (2004) 161
78. K. Andersson, H. Ogasawara, M. Odelius, L.G.M. Pettersson, A. Nilsson, unpublished.
79. Haq S., Harnett J., and Hodgson A. Surf. Sci. 505 (2002) 171
80. Clay C., Haq S., and Hodgson A. Chem. Phys. Lett. 388 (2004) 89
81. Ogasawara H., Yoshinobu J., and Kawai M. Chem. Phys. Lett. 231 (1994) 188
82. Nakamura M., Singaya Y., and Ito M. Chem. Phys. Lett. 309 (1999) 123
83. Menzel D. Science 295 (2002) 58
84. Denzler D.N., Wagner S., Wolf M., and Ertl G. Surf. Sci. 532-535 (2003) 113
85. Michaelides A., Alavi A., and King D.A. J. Am. Chem. Soc. 125 (2003) 2746
86. Weissenrieder J., Mikkelsen A., Andersen J.N., Feibelman P.J., and Held G. Phys. Rev. Lett. 93 (2004) 196102
87. Materzanini G., Tantardini G.F., Lindan P.J., and Saalfrank P. Phys. Rev. B 71 (2005) 155414
88. Held G., and Menzel D. Surf. Sci. 316 (1994) 92
89. Denzler D.N., Wagner S., Wolf M., and Ertl G. Surf. Sci. 544 (2003) 348
90. Hoffmann W., and Benndorf C. Surf. Sci. 377-379 (1997) 681
91. Held G., and Menzel D. Surf. Sci. 327 (1995) 301
92. Schmitz P.J., Polta J.A., Chang S.L., and Thiel P.A. Surf. Sci. Lett. 186 (1987) 283
93. Kinne M., Fuhrmann T., Zhu J.F., Tränkenschuh B., Denecke R., and Steinrück H.-P. Langmuir 20 (2004) 1819
94. Tatarkhanov M., Fomin E., Salmerón M., Andersson K., Ogasawara H., Pettersson L.G.M., Nilsson A., and Cerdá J.I. J. Chem. Phys. 129 (2008) 154109
95. Brena B., Nordlund D., Odelius M., Ogasawara H., Nilsson A., and Pettersson L.G.M. Phys. Rev. Lett. 93 (2004) 148302
96. Tokushima T., Harada Y., Takahashi O., Senba Y., Ohashi H., Pettersson L.G.M., Nilsson A., and Shin S. Chem. Phys. Lett. 460 (2008) 387
97. Jacobi K., Bedürftig K., Wang Y., and Ertl G. Surf. Sci. 472 (2001) 9
98. Haq S., and Hodgson A. J. Phys. Chem. C 111 (2007) 5946
99. Waluyo I., Nordlund D., Näslund L.-A., Ogasawara H., Pettersson L.G.M., and Nilsson A. Surf. Sci. 602 (2008) 2004
100. Zimbitas G., Haq S., and Hodgson A. J. Chem. Phys. 123 (2005) 174701
101. Nilsson A., Ogasawara H., Cavalleri M., Nordlund D., Nyberg M., Wernet P., and Pettersson L.G.M. J. Chem. Phys. 122 (2005) 154505
102. Ireta J., Neugebauer J., and Scheffler M. J. Chem. Phys. A 108 (2004) 5692
103. Filhol J.-S., and Bocquet M.-L. Chem. Phys. Lett. 438 (2007) 203
104. Cerdá J., Michaelides A., Bocquet M.-L., Feibelman P.J., Mitsui T., Rose M., Fomin E., and Salmerón M. Phys. Rev. Lett. 93 (2004) 116101
105. Feibelman P.J. Phys. Rev. Lett. 90 (2003) 186103
106. Beniya A., Sakaguchi Y., Narushima T., Mukai K., Yamashita Y., Yoshimoto S., and Yoshinobu J. J. Chem. Phys. 130 (2009) 034706