Optically probing Al-O and O-H vibrations to characterize water adsorption and surface reconstruction on α-alumina: An experimental and theoretical study

Journal of Chemical Physics

Volumn 142, Issue 5, 2015, Pages

  Tong, Yujin ^a   Wirth, Jonas ^b   Kirsch, Harald ^a   Wolf, Martin ^a   Saalfrank, Peter ^b   Campen, R Kramer ^a  

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

^b UNIVERSITY OF POTSDAM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINA; ALUMINUM; ALUMINUM OXIDE; ELECTRONIC STRUCTURE; SURFACE STRUCTURE;

AMBIENT ATMOSPHERE; ELECTRONIC STRUCTURE CALCULATIONS; INTERACTION CONTROLS; LOCAL ENVIRONMENTS; MOLECULAR-LEVEL INSIGHTS; SOLID/LIQUID INTERFACES; SPECTRAL RESPONSE; THEORETICAL STUDY;

PHASE INTERFACES;

EID: 84923810767     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4906346     Document Type: Article

References (86)

1. V. E. Henrich and P. A. Cox, The Surface Science of Metal Oxides (Cambridge University Press, 1996).
2. H. A. Al-Abadleh and V. H. Grassian, Surf. Sci. Rep. 52, 63 (2003). 10.1016/j.surfrep.2003.09.001
3. U. Diebold, S.-C. Li, and M. Schmid, Annu. Rev. Phys. Chem. 61, 129 (2010). 10.1146/annurev.physchem.012809.103254
4. T. Hiemstra, W. H. van Riemsdijk, and G. H. Bolt, J. Colloid Interface Sci. 133, 91 (1989). 10.1016/0021-9797(89)90284-1
5. T. Hiemstra and W. H. Van Riemsdijk, J. Colloid Interface Sci. 179, 488 (1996). 10.1006/jcis.1996.0242
6. D. A. Sverjensky, Geochim. Cosmochim. Acta 69, 225 (2005). 10.1016/j.gca.2004.05.040
7. J. W. Elam, C. E. Nelson, M. A. Cameron, M. A. Tolbert, and S. M. George, J. Phys. Chem. B 102, 7008 (1998). 10.1021/jp981070j
8. P. Guenard, G. Renaud, A. Barbier, and M. Gautier-Soyer, Surf. Rev. Lett. 5, 321 (1998). 10.1142/S0218625X98000591
9. G. Renaud, Surf. Sci. Rep. 32, 5 (1998). 10.1016/S0167-5729(98)00005-3
10. M. Ricci, P. Spijker, F. Stellacci, J.-F. Molinari, and K. Voïtchovsky, Langmuir 29, 2207 (2013). 10.1021/la3044736
11. I. Siretanu, D. Ebeling, M. P. Andersson, S. L. S. Stipp, A. Philipse, M. C. Stuart, D. van den Ende, and F. Mugele, Sci. Rep. 4, 4954 (2014). 10.1038/srep04956
12. H. A. Al-Abadleh and V. H. Grassian, Langmuir 19, 341 (2003). 10.1021/la026208a
13. A. C. Thomas and H. H. Richardson, J. Phys. Chem. C 112, 20033 (2008). 10.1021/jp8072766
14. Y. R. Shen, Nature 337, 519 (1989). 10.1038/337519a0
15. C. D. Bain, J. Chem. Soc., Faraday Trans. 91, 1281 (1995). 10.1039/ft9959101281
16. K. B. Eisenthal, Chem. Rev. 96, 1343 (1996). 10.1021/cr9502211
17. M. J. Shultz, C. Schnitzer, D. Simonelli, and S. Baldelli, Int. Rev. Phys. Chem. 19, 123 (2000). 10.1080/014423500229882
18. Z. Chen, Y. R. Shen, and G. A. Somorjai, Annu. Rev. Phys. Chem. 53, 437 (2002). 10.1146/annurev.physchem.53.091801.115126
19. G. L. Richmond, Chem. Rev. 102, 2693 (2002). 10.1021/cr0006876
20. H.-F. Wang, W. Gan, R. Lu, Y. Rao, and B.-H. Wu, Int. Rev. Phys. Chem. 24, 191 (2005). 10.1080/01442350500225894
21. S. Gopalakrishnan, D. F. Liu, H. C. Allen, M. Kuo, and M. J. Shultz, Chem. Rev. 106, 1155 (2006). 10.1021/cr040361n
22. Y. R. Shen and V. Ostroverkhov, Chem. Rev. 106, 1140 (2006). 10.1021/cr040377d
23. S. Ye and M. Osawa, Chem. Lett. 38, 386 (2009). 10.1246/cl.2009.386
24. S. Roke, ChemPhysChem 10, 1380 (2009). 10.1002/cphc.200900138
25. F. M. Geiger, Annu. Rev. Phys. Chem. 60, 61 (2009). 10.1146/annurev.physchem.59.032607.093651
26. J. F. D. Liljeblad and E. Tyrode, J. Phys. Chem. C 116, 22893 (2012). 10.1021/jp306838a
27. E. Tyrode and J. F. Liljeblad, J. Phys. Chem. C 117, 1780 (2013). 10.1021/jp310732f
28. S. Kataoka, M. Gurau, F. Albertorio, M. Holden, S. Lim, R. Yang, and P. Cremer, Langmuir 20, 1662 (2004). 10.1021/la035971h
29. I. Li, J. Bandura, and M. J. Shultz, Langmuir 20, 10474 (2004). 10.1021/la048639u
30. V. Ostroverkhov, G. A. Waychunas, and Y. Shen, Chem. Phys. Lett. 386, 144 (2004). 10.1016/j.cplett.2004.01.047
31. C. Wang, H. Groenzin, and M. Shultz, J. Phys. Chem. B 108, 265 (2004). 10.1021/jp0356463
32. V. Ostroverkhov, G. A. Waychunas, and Y. Shen, Phys. Rev. Lett. 94, 046102 (2005). 10.1103/PhysRevLett.94.046102
33. L. Zhang, C. Tian, G. A. Waychunas, and Y. R. Shen, J. Am. Chem. Soc. 130, 7686 (2008). 10.1021/ja8011116
34. B. Braunschweig, S. Eissner, and W. Daum, J. Phys. Chem. C 112, 1751 (2008). 10.1021/jp711758y
35. W. T. Liu and Y. R. Shen, Phys. Rev. Lett. 101, 016101 (2008). 10.1103/PhysRevLett.101.016101
36. J. A. Kelber, Surf. Sci. Rep. 62, 271 (2007). 10.1016/j.surfrep.2006.12.003
37. C. Morterra and G. Magnacca, Catal. Today 27, 497 (1996). 10.1016/0920-5861(95)00163-8
38. W. T. Liu and Y. R. Shen, Phys. Rev. B 78, 024302 (2008). 10.1103/PhysRevB.78.024302
39. Y. Tong, Y. Zhao, N. Li, M. Osawa, P. B. Davies, and S. Ye, J. Chem. Phys. 133, 034704 (2010). 10.1063/1.3428668
40. Y. Tong, A. Vila Verde, and R. K. Campen, J. Phys. Chem. B 117, 11753 (2013). 10.1021/jp406577v
41. H. Held, A. Lvovsky, X. Wei, and Y. Shen, Phys. Rev. B 66, 205110 (2002). 10.1103/PhysRevB.66.205110
42. C. D. Bain, P. B. Davies, T. H. Ong, R. N. Ward, and M. A. Brown, Langmuir 7, 1563 (1991). 10.1021/la00056a003
43. A. S. Barker, Jr., Phys. Rev. 132, 1474 (1963). 10.1103/PhysRev.132.1474
44. E. D. Palik, Handbook of Optical Constants of Solids: Index (Elsevier, 1998), Vol. 3.
45. M. Schubert, T. E. Tiwald, and C. M. Herzinger, Phys. Rev. B 61, 8187 (2000). 10.1103/PhysRevB.61.8187
46. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
47. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
48. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
49. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
50. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993). 10.1103/PhysRevB.48.13115
51. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). 10.1103/PhysRevB.49.14251
52. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
53. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997). 10.1103/PhysRevLett.78.1396
54. S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
55. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
56. P. Thompson, D. E. Cox, and J. B. Hastings, J. Appl. Crystallogr. 20, 79 (1987). 10.1107/S0021889887087090
57. K. C. Hass, W. F. Schneider, A. Curioni, and W. Andreoni, Science 282, 265 (1998). 10.1126/science.282.5387.265
58. V. A. Ranea, I. Carmichael, and W. F. Schneider, J. Phys. Chem. C 113, 2149 (2009). 10.1021/jp8069892
59. Z. ?odziana, J. K. Nørskov, and P. Stoltze, J. Chem. Phys. 118, 11179 (2003). 10.1063/1.1574798
60. C. Klein and C. S. Hurlburt, Jr., Manual of Mineralogy (John Wiley and Sons Inc., New York, Chichester, Brisbane, Toronto, Singapore, 1993), Vol. 21.
61. S. P. S. Porto and R. S. Krishnan, J. Chem. Phys. 47, 1009 (1967). 10.1063/1.1711980
62. M. C. Munisso, W. Zhu, and G. Pezzotti, Phys. Status Solidi B 246, 1893 (2009). 10.1002/pssb.200945137
63. C. Hirose, N. Akamatsu, and K. Domen, Appl. Spectrosc. 46, 1051 (1992). 10.1366/0003702924124385
64. S. Malyk, F. Y. Shalhout, L. E. O'Leary, N. S. Lewis, and A. V. Benderskii, J. Phys. Chem. C 117, 935 (2013). 10.1021/jp3067298
65. T. Kurita, K. Uchida, and A. Oshiyama, Phys. Rev. B 82, 155319 (2010). 10.1103/PhysRevB.82.155319
66. E. A. Soares, M. A. Van Hove, C. F. Walters, and K. F. McCarty, Phys. Rev. B 65, 195405 (2002). 10.1103/PhysRevB.65.195405
67. P. Liu, T. Kendelewicz, G. E. Brown, E. J. Nelson, and S. A. Chambers, Surf. Sci. 417, 53 (1998). 10.1016/S0039-6028(98)00661-X
68. C. Niu, K. Shepherd, D. Martini, J. Tong, J. A. Kelber, D. R. Jennison, and A. Bogicevic, Surf. Sci. 465, 163 (2000). 10.1016/S0039-6028(00)00728-7
69. J. A. Kelber, C. Niu, K. Shepherd, D. R. Jennison, and A. Bogicevic, Surf. Sci. 446, 76 (2000). 10.1016/S0039-6028(99)01089-4
70. Q. Fu, T. Wagner, and M. Rühle, Surf. Sci. 600, 4870 (2006). 10.1016/j.susc.2006.08.008
71. H. Kirsch, J. Wirth, Y. Tong, M. Wolf, P. Saalfrank, and R. K. Campen, J. Phys. Chem. C 118, 13623 (2014). 10.1021/jp502106t
72. P. J. Eng, T. P. Trainor, G. E. Brown, Jr., G. A. Waychunas, M. Newville, S. R. Sutton, and M. L. Rivers, Science 288, 1029 (2000). 10.1126/science.288.5468.1029
73. M. Liehr, P. A. Thiry, J. J. Pireaux, and R. Caudano, J. Vac. Sci. Technol. A 2, 1079 (1984). 10.1116/1.572659
74. R. Fuchs and K. L. Kliewer, Phys. Rev. 140, A2076 (1965). 10.1103/PhysRev.140.A2076
75. A. A. Lucas and M. S?unjić, Prog. Surf. Sci. 2, 75 (1972). 10.1016/0079-6816(72)90002-0
76. X. G. Wang, A. Chaka, and M. Scheffler, Phys. Rev. Lett. 84, 3650 (2000). 10.1103/PhysRevLett.84.3650
77. A. Marmier and S. C. Parker, Phys. Rev. B 69, 115409 (2004). 10.1103/PhysRevB.69.115409
78. J.-C. Lavalley and M. Benaissa, J. Chem. Soc., Chem. Commun. 1984, 908. 10.1039/c39840000908
79. C. Morterra, C. Emanuel, G. Cerrato, and G. Magnacca, J. Chem. Soc., Faraday Trans. 88, 339 (1992). 10.1039/ft9928800339
80. C. Contescu, J. Jagiello, and J. A. Schwarz, Langmuir 9, 1754 (1993). 10.1021/la00031a024
81. J. Lützenkirchen, R. Zimmermann, T. Preočanin, A. Filby, T. Kupcik, D. Küttner, A. Abdelmonem, D. Schild, T. Rabung, and M. Plaschke, Adv. Colloid Interface Sci. 157, 61 (2010). 10.1016/j.cis.2010.03.003
82. J. Westall and H. Hohl, Adv. Colloid Interface Sci. 12, 265 (1980). 10.1016/0001-8686(80)80012-1
83. G. Sposito, Adv. Colloid Interface Sci. 91, 329 (1983). 10.1016/0021-9797(83)90345-4
84. T. Hiemstra, J. C. M. de Wit, and W. H. van Riemsdijk, Adv. Colloid Interface Sci. 133, 105 (1989). 10.1016/0021-9797(89)90285-3
85. M. L. Machesky, M. Predota, D. J. Wesolowski, L. Vlcek, P. T. Cummings, J. Rosenqvist, M. K. Ridley, J. D. Kubicki, A. V. Bandura, N. Kumar, and J. O. Sofo, Langmuir 24, 12331 (2008). 10.1021/la801356m
86. 3(0001) surface, additional illustrations of atom displacements associated with calculated normal modes and details of the selection criteria employed to determine surface phonons.