The (√7 × √7)R19.1°-C6H6 adsorption structure on Co{0001}: A combined tensor LEED and DFT study

Surface Science

Volumn 572, Issue 1, 2004, Pages 1-10

  Pussi, K ^a   Lindroos, M ^a   Katainen, J ^b   Habermehl Cwirzen K ^b   Lahtinen, J ^b   Seitsonen, A P ^c  

^a TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^b AALTO UNIVERSITY   (Finland)

^c UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

Aromatics; Cobalt; Density functional calculations; Low energy electron diffraction (LEED); Surface structure, morphology, roughness, and topography

Indexed keywords

BENZENE; COBALT; HYDROCARBONS; HYDROGEN BONDS; LOW ENERGY ELECTRON DIFFRACTION; SURFACE ROUGHNESS; SURFACE STRUCTURE; TENSORS;

AROMATICS; CARBON RINGS; DENSITY FUNCTIONAL CALCULATIONS; VIBRATIONAL FREQUENCY;

ADSORPTION;

EID: 7644236384     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2004.08.017     Document Type: Article

References (34)

1. K.M.E. Habermehl-Ćwirzeń, J. Katainen, J. Lahtinen, P. Hautojärvi, Surf. Sci. 507-510 (2002) 57.
2. H.-P. Steinrück, J. Phys.: Condens. Matter 8 (1996) 6465.
3. A.M. Bradshaw, D.P. Woodruff, in: Applications of Synchrotron Radiation High Resolution Studies of Molecules and Molecular Adsorbates on Surfaces, Springer, Berlin, 1995, p. 127.
4. O. Schaff, V. Fernandez, Ph. Hofmann, K.-M. Schindler, A. Theobald, V. Fritzsche, A.M. Bradshaw, R. Davis, D.P. Woodruff, Surf. Sci. 348 (1996) 89.
5. W. Huber, P. Zebisch, T. Bornemann, H.-P. Steinrück, Surf. Sci. 258 (1991) 16.
6. W. Huber, H.-P. Steinrück, T. Pache, D. Menzel, Surf. Sci. 217 (1989) 103.
7. C. Stellwag, G. Held, D. Menzel, Surf. Sci. 325 (1995) L379.
8. P. Jacob, D. Menzel, Surf. Sci. 201 (1988) 503.
9. A. Wander, G. Held, R.Q. Hwang, G.S. Blackman, M.L. Xu, P. de Andres, M.A. Van Hove, G.A. Somorjai, Surf. Sci. 249 (1991) 21.
10. W. Braun, G. Held, H.-P. Steinrück, C. Stellwag, D. Menzel, Surf. Sci. 475 (2001) 18.
11. C.J. Barnes, M. Valden, M. Pessa, Surf. Rev. Lett. 7 (2000) 67.
12. K. Pussi, M. Lindroos, C.J. Barnes, Chem. Phys. Lett. 341 (2001) 7.
13. H. Wadepohl, K. Büchner, M. Herrmann, H. Pritzkow, J. Organomet. Chem. 573 (1999) 22.
14. M.A. Van Hove, W. Moritz, H. Over, P.J. Rous, A. Wander, A. Barbieri, N. Materer, U. Starke, G.A. Somorjai, Surf. Sci. Rep. 19 (1993) 191.
15. A. Barbieri, M.A. Van Hove, private communication.
16. A. Wander, M.A. Van Hove, GA. Somorjai, Phys. Rev. Lett. 67 (1991) 626.
17. J.B. Pendry, J. Phys. C: Solid State Phys. 13 (1980) 937.
18. J.P. Perdew, JA. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiohais, Phys. Rev. B 46 (1992) 6671.
19. Specifically, we used the Vienna ab initio simulation package - G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11196; and described the electron-ion using the projector augmented wave method - P.E. Blöchl Phys. Rev. B 50 (1994) 17953; G. Kresse, D. Joubert, Phys. Rev. B 59 (1999) 1758.
20. Specifically, we used the Vienna ab initio simulation package - G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11196; and described the electron-ion using the projector augmented wave method - P.E. Blöchl Phys. Rev. B 50 (1994) 17953; G. Kresse, D. Joubert, Phys. Rev. B 59 (1999) 1758.
21. Specifically, we used the Vienna ab initio simulation package - G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11196; and described the electron-ion using the projector augmented wave method - P.E. Blöchl Phys. Rev. B 50 (1994) 17953; G. Kresse, D. Joubert, Phys. Rev. B 59 (1999) 1758.
22. C. Kittel, Introduction to Solid State Physics, 6th ed., Wiley, New York, 1986.
23. G. Held, M. Bessent, S. Titmuss, D.A. King, J. Chem. Phys. 105 (1996) 11305.
24. F. Mittendorfer, J. Hafner, Surf. Sci. 472 (2001) 133.
25. S. Yamagishi, S.J. Jenkins, D.A. King, J. Chem. Phys. 114-(2001) 5765.
26. C. Morin, D. Simon, P. Sautet, J. Phys. Chem. B 107 (2003) 2995.
27. C. Morin, D. Simon, P. Sautet, J. Phys. Chem. B 108 (2004) 5653.
28. G. Held, W. Braun, H.-P. Steinrück, S. Yamagishi, S.J. Jenkins, D.A. King, Phys. Rev. Lett. 87 (2001) 216102.
29. M. Sayes, M.-F. Reyniers, G.B. Marin, M. Neurock, J. Phys. Chem. B 106 (2002) 7489.
30. B.L. Rogers, J.G. Shapter, M.J. Ford, Surf. Sci. 548 (2004) 29.
31. N. Lorente, M.F.G. Hedouin, R.E. Palmer, M. Persson, Pays. Rev. B 68 (2003) 155401.
32. R. Duschek, F. Mittendorfer, R.I.R. Blyth, F.P. Netzer, J. Hafner, M.G. Ramsey, Chem. Phys. Lett. 318 (2000) 43.
33. P.J. Feibelman, B. Hammer, J.K. Nørskov, F. Wagner, M. Scheffler, R. Stumpf, R. Watwe, J. Dumesic, J. Phys. Chem. B 105 (2001) 4018.
34. T. Vaara, J. Vaari, J. Lahtinen, Surf. Sci. 395 (1998) 88.