Chemisorption of O2 on Ag(110)

Surface Science

Volumn 352-354, Issue , 1996, Pages 248-252

  Gravil, P A ^a   White, J A ^b   Bird, D M ^a  

^a UNIVERSITY OF BATH   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Ab initio quantum chemical methods and calculations; Atom solid interactions, scattering, diffraction; Chemisorption; Density functional calculations; Low index single crystal surfaces; Oxygen; Silver

Indexed keywords

ADSORPTION; BINDING ENERGY; CALCULATIONS; CHEMISORPTION; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULAR ORIENTATION; OXYGEN; POLARIZATION; QUANTUM THEORY; SILVER; SURFACE STRUCTURE;

ATOM SOLID INTERACTIONS; DENSITY FUNCTIONAL CALCULATIONS;

SURFACE PHENOMENA;

EID: 0030145034     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(95)01141-2     Document Type: Article

References (23)

1. R.J. Guest, B. Hernnäs, P. Bennich, O. Björneholm, A. Nilsson, R.E. Palmer and N. Måertensson, Surf. Sci. 278 (1992) 239.
2. C. Backx, C.P.M. de Groot and P. Biloen, Surf. Sci. 104 (1981) 300.
3. K.C. Prince, G. Paolucci and A.M. Bradshaw, Surf. Sci. 175 (1986) 101.
4. D.A. Outka, J. Stöhr, W. Jark, P. Stevens, J. Solomon and R.J. Madix, Phys. Rev. B 35 (1987) 4119.
5. K. Bange, T.E. Madey and J.K. Sass, Chem. Phys. Lett. 153 (1985) 56.
6. T.H. Upton, P. Stevens and R.J. Madix, J. Chem. Phys. 88 (1988) 3988.
7. P.J. van den Hoek and E.J. Baerends, Surf. Sci. 221 (1989) L791.
8. W. Wurth, J. Stöhr, P. Feulner, X. Pan, K.R. Bauchspiess, Y. Baba, E. Hudel, G. Rocker and D. Menzel, Phys. Rev. Lett. 65 (1990) 2426.
9. M. Zomack, PhD Thesis, Freie Universität Berlin (1987).
10. L. Vattuone, C. Boragno, M. Pupo, P. Restelli, M. Rocca and U. Valbusa, Phys. Rev. Lett. 49 (1994) 510; L. Vattuone, M. Rocca and U. Valbusa, Surf. Sci. 314 (1994) 1904; L. Vattuone, M. Rocca, C. Boragno and U. Valbusa, J. Chem. Phys. 101 (1994) 713 and 726.
11. L. Vattuone, C. Boragno, M. Pupo, P. Restelli, M. Rocca and U. Valbusa, Phys. Rev. Lett. 49 (1994) 510; L. Vattuone, M. Rocca and U. Valbusa, Surf. Sci. 314 (1994) 1904; L. Vattuone, M. Rocca, C. Boragno and U. Valbusa, J. Chem. Phys. 101 (1994) 713 and 726.
12. L. Vattuone, C. Boragno, M. Pupo, P. Restelli, M. Rocca and U. Valbusa, Phys. Rev. Lett. 49 (1994) 510; L. Vattuone, M. Rocca and U. Valbusa, Surf. Sci. 314 (1994) 1904; L. Vattuone, M. Rocca, C. Boragno and U. Valbusa, J. Chem. Phys. 101 (1994) 713 and 726.
13. A. Raukema, PhD Thesis, FOM Institute for Atomic and Molecular Physics (1995); A. Raukema, D.A. Butler and A.W. Kleyn, Surf. Sci., submitted.
14. A. Raukema, PhD Thesis, FOM Institute for Atomic and Molecular Physics (1995); A. Raukema, D.A. Butler and A.W. Kleyn, Surf. Sci., submitted.
15. M. Canepa, P. Cantini, F. Fossa, L. Mattera and S. Terrini, Phys. Rev. B 47 (1993) 15823; L. Vattuone, M. Rocca, P. Restelli, M. Pupo, C. Boragno and U. Valbusa, Phys. Rev. B 49 (1994) 5113.
16. M. Canepa, P. Cantini, F. Fossa, L. Mattera and S. Terrini, Phys. Rev. B 47 (1993) 15823; L. Vattuone, M. Rocca, P. Restelli, M. Pupo, C. Boragno and U. Valbusa, Phys. Rev. B 49 (1994) 5113.
17. M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; L.J. Clarke, I. Stich and M.C. Payne, Comp. Phys. Commun. 72 (1992) 14.
18. M.C. Payne, M.P. Teter, D.C. Allen, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; L.J. Clarke, I. Stich and M.C. Payne, Comp. Phys. Commun. 72 (1992) 14.
19. R. Car and M. Parrinello, Phys. Rev. Lett. 55 (1985) 2471.
20. J.A. White, unpublished.
21. R.D. King-Smith, M.C. Payne and J.-S. Lin, Phys. Rev. B 44 (1991) 13063.
22. J.A. White and D.M. Bird, Phys. Rev. B 50 (1994) 4954.
23. J.-S. Lin, A. Qteish, M.C. Payne and V. Heine, Phys. Rev. B 47 (1993) 4174.