The adsorption geometry of benzoic acid on Ni(110)

Surface Review and Letters

Volumn 6, Issue 1, 1999, Pages 53-75

  Neuber, M ^a   Zharnikov, M ^a   Walz, J ^a   Grunze, M ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033419620     PISSN: 0218625X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0218625X99000093     Document Type: Article

References (65)

1. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
2. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
3. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
4. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
5. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
6. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
7. A survey up to 1991 can be found in e.g. F. P. Netzer, Langmuir 7, 2544 (1991). Further references: M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991); W. Huber, M. Weinelt, P.Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991); W. Huber, P. Zebisch, T. Bornemann and H.-P. Steinrück, Surf. Sci. 258, 16 (1991); S. J. Stranick, M. M. Kamna and P. S. Weiss, Surf. Sci. 338, 41 (1995); M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995); O. Dippel, F. Cemic and E. Hasselbrink, Surf. Sci. 357, 190 (1996).
8. A. Puschmann, J. Haase, M. D. Crapper, C. E. Riley and D. P. Woodruff, Phys. Rev. Lett. 54, 2250 (1985).
9. M. D. Crapper, C. E. Riley, D. P. Woodruff, A. Puschmann and J. Haase, Surf. Sci. 171, 1 (1986).
10. Th. Lindner, J. Somers, A. M. Bradshaw and G. P. Williams, Surf. Sci. 185, 75 (1987).
11. T. S. Jones, M. R. Ashton and N. V. Richardson, J. Chem. Phys. 90, 7564 (1989).
12. T. S. Jones and N. V. Richardson, Surf. Sci. 211/212, 377 (1989).
13. B. G. Frederick, T. S. Jones, P. D. A. Pudney and N. V. Richardson, J. Electr. Spectr. Rel. Phenom. 64/65, 115 (1993).
14. B. G. Frederick, M. R. Ashton and N. V. Richardson, Surf. Sci. 292, 33 (1993).
15. N. V. Richardson, B. G. Frederick, W. N. Unertl and A. El. Farrash, Surf. Sci. 307-309, 124 (1994).
16. B. G. Frederick, F. M. Leibsle, S. Haq and N. V. Richardson, Surf. Rev. Lett. 3, 1523 (1996).
17. B. G. Frederick, Q. Chen, F. M. Leibsle, M. B. Leee, K. J. Kitching and N. V. Richardson, Surf. Sci. 394, 1 (1997).
18. N. V. Richardson, private communication; B. G. Frederick, F. M. Leibsle, S. Haq and N. V. Richardson, Surf. Rev. Lett. 3, 1523 (1996).
19. N. V. Richardson, private communication; B. G. Frederick, F. M. Leibsle, S. Haq and N. V. Richardson, Surf. Rev. Lett. 3, 1523 (1996).
20. M. E. Pemble, A. R. Turner, N. Shukla, T. Bitzer, B. G. Frederick, K. J. Kitching and N. V. Richardson, J. Chem. Soc. Faraday Trans. 91, 3627, 1995.
21. J. Stöhr and D. A. Outka, Phys. Rev. B36, 7891 (1987).
22. J. Stöhr, NEXAFS Spectroscopy (Springer, 1992).
23. As provided by the software package HyperChem from Hypercube Inc., Waterloo (Ontario), Canada; see http://www.hyper.com/.
24. M. C. Zerner, G. H. Loew, R. F. Kircher and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980); W. P. Anderson, T. R. Cundari and M. C. Zerner, Int. J. Quant. Chem. 34, 31 (1991); W. P. Anderson, T. R. Cundari, R. Drago and M. C. Zerner, Inorg. Chem. 29, 1 (1990).
25. M. C. Zerner, G. H. Loew, R. F. Kircher and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980); W. P. Anderson, T. R. Cundari and M. C. Zerner, Int. J. Quant. Chem. 34, 31 (1991); W. P. Anderson, T. R. Cundari, R. Drago and M. C. Zerner, Inorg. Chem. 29, 1 (1990).
26. M. C. Zerner, G. H. Loew, R. F. Kircher and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980); W. P. Anderson, T. R. Cundari and M. C. Zerner, Int. J. Quant. Chem. 34, 31 (1991); W. P. Anderson, T. R. Cundari, R. Drago and M. C. Zerner, Inorg. Chem. 29, 1 (1990).
27. J. J. Stewart, J. Comp. Chem. 10, 209 (1989); J. Comp. Chem. 10, 221 (1989).
28. J. J. Stewart, J. Comp. Chem. 10, 209 (1989); J. Comp. Chem. 10, 221 (1989).
29. This is the case for the standard semiempirical methods, e.g. (Z)INDO, AM1, PM3; see also Ref. 34. The corresponding experience was confirmed in discussions with members of the Computational Chemistry List (CCL), moderated by Jan K. Labanowski, Ohio Supercomputer Center, 1224 Kinnear Rd., Columbus, OH 43212-1163, USA (jkl@osc.edu).
30. E. Adem, R. Champaniera and P. Coxon, Vacuum 41, 1695 (1990).
31. P. Coxon, J. Krizek, M. Humpherson and I. R. M. Wardell, J. Electr. Spectr. Rel. Phenom. 51-52, 821 (1990).
32. nd edn. (BESSY GmbH, 1995).
33. nd edn. (BESSY GmbH, 1995).
34. B. H. McQuaide and M. S. Banna, Can. J .Chem. 66, 1919 (1988).
35. L. H. Dubois, B. R. Zegarski and R. G. Nuzzo, Langmuir 2, 412 (1986).
36. G. Beamson and D. Briggs, High Resolution XPS of Organic Polymers (Wiley, 1992), and references therein.
37. J. Stöhr, J. L. Gland, W. Eberhardt, D. Outka, R. J. Madix, F. Sette, R. J. Koestner and U. Döbler, Phys. Rev. Lett. 51, 2414 (1983).
38. J. Stöhr, D. Outka, R. J. Madix and U. Döbler, Phys. Rev. Lett. 54, 1256 (1985).
39. D. Outka, R. J. Madix and J. Stöhr, Surf. Sci. 164, 235 (1985).
40. D. Outka, J. Stöhr and R. J. Madix, Surf. Sci. 185, 53 (1987).
41. J. A. Horsley, J. Stöhr, A. P. Hitchcock, D. C. Newbury, A. L. Johnson and F. Sette, J. Chem. Phys. 83, 6099 (1985).
42. W. Huber, M. Weinelt, P. Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991).
43. S. Aminpirooz, L. Becker, B. Hillert and J. Haase, Surf. Sci. Lett. 244, L152 (1991).
44. M. G. Ramsey, D. Steinmüller, F. P. Netzer, T. Schedel, A. Santianello and D. R. Lloyd, Surf. Sci. 251/252, 979 (1991).
45. M. Neuber and M.Grunze, "Quantum-mechanical calculations on benzoic acid adsorbed on Ni: a comparison to experimental results," in preparation.
46. See Ref. 15, p. 185.
47. G. Hähner, M. Kinzler, Ch. Wöll, M. Grunze, M. K. Scheller and L. S. Cederbaum, Phys. Rev. Lett. 67, 851 (1991); G. Hähner et al, Phys. Rev. Lett. 69, 694 (1992).
48. G. Hähner, M. Kinzler, Ch. Wöll, M. Grunze, M. K. Scheller and L. S. Cederbaum, Phys. Rev. Lett. 67, 851 (1991); G. Hähner et al, Phys. Rev. Lett. 69, 694 (1992).
49. P. A. Stevens, R. J. Madix and J. Stöhr, Surf. Sci. 230, 1 (1990).
50. W. Huber, M. Weinelt, P. Zebisch and H.-P. Steinrück, Surf. Sci. 253, 72 (1991).
51. H.-P. Steinrück, W. Huber, T. Pache and D. Menzel, Surf. Sci. 218, 293 (1989).
52. A. K. Myers, G. R. Schoofs and J. B. Benzinger, J. Phys. Chem. 91, 2230 (1987).
53. K. Christmann, O. Schober, G. Ertl and M. Neumann, J. Chem. Phys. 60, 4528 (1974).
54. K. Christmann, F. Chehab, V. Penka and G. Ertl, Surf. Sci. 152/153, 356 (1985).
55. T. S. Jones, N. V. Richardson and A. W. Joshi, Surf. Sci. Lett. 207, L948 (1988).
56. C. J. Barnes, "Adsorbate-induced reconstruction of fcc{110} surfaces," and F. Besenbacher and I. Stensgard, "Microscopic studies of adsorbate restructuring at metal surfaces," both in: D. A. King and D. P. Woodruff (eds.), The Chemical Physics of Solid Surfaces, Vol. 7: Phase Transitions and Adsorbate Restructuring at Metal Surfaces (Elsevier, Amsterdam/London/NewYork/Tokyo, 1994), and references therein.
57. C. J. Barnes, "Adsorbate-induced reconstruction of fcc{110} surfaces," and F. Besenbacher and I. Stensgard, "Microscopic studies of adsorbate restructuring at metal surfaces," both in: D. A. King and D. P. Woodruff (eds.), The Chemical Physics of Solid Surfaces, Vol. 7: Phase Transitions and Adsorbate Restructuring at Metal Surfaces (Elsevier, Amsterdam/London/NewYork/Tokyo, 1994), and references therein.
58. C. J. Barnes, "Adsorbate-induced reconstruction of fcc{110} surfaces," and F. Besenbacher and I. Stensgard, "Microscopic studies of adsorbate restructuring at metal surfaces," both in: D. A. King and D. P. Woodruff (eds.), The Chemical Physics of Solid Surfaces, Vol. 7: Phase Transitions and Adsorbate Restructuring at Metal Surfaces (Elsevier, Amsterdam/London/NewYork/Tokyo, 1994), and references therein.
59. M. Gierer, H. Over, G. Ertl, H. Wohlgemuth, E. Schwarz and K. Christmann, Surf. Sci. Lett. 297, L73 (1993).
60. M. Gierer, H. Over, P. Rech, E. Schwarz and K. Christmann, Surf. Sci. 370, L201 (1997).
61. M. G. Ramsey, D. Steinmüller, T. Pache and D. Menzel, Surf. Sci. 251/252, 979 (1991).
62. M. Neuber, F. Schneider, C. Zubrägel and M. Neumann, J. Phys. Chem. 99, 9160 (1995), and references therein.
63. As implemented in the program package HyperChem by Hypercube Inc., Waterloo (Ontario), Canada; see e.g. http://www.hyper.com/.
64. M. Zharnikov, M. Neuber and M. Grunze, J. Electr. Spectr. Rel. Phenom., in print.
65. The angle notation is based on the nomenclature of Stöhr in Ref. 15, Fig. 9.2, on p. 280.