Oxidation of Pt(110)

Physical Review Letters

Volumn 93, Issue 14, 2004, Pages

  Li, W X ^a   Osterlund L ^a,b   Vestergaard, E K ^a   Vang, R T ^a   Matthiesen, J ^a   Pedersen, T M ^a   Laegsgaard E ^a   Hammer, B ^a   Besenbacher, F ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b SWEDISH DEFENCE RESEARCH AGENCY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CATALYSIS; CHEMISORPTION; DESORPTION; HIGH PRESSURE EFFECTS; HYDROGENATION; OXIDATION; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; THERMAL EFFECTS; ULTRAHIGH VACUUM;

ATOMIC OXYGEN; DENSITY FUNCTIONAL THEORY (DFT); KINETIC RESTRICTIONS; TMPERATURE PROGRAMED DESORPTION (TDP);

PLATINUM;

EID: 19644400985     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.146104     Document Type: Article

References (21)

1. H. Over et al., Science 287, 1474 (2000).
2. E. Lundgren et al., Phys. Rev. Lett. 88, 246103 (2002).
3. C. I. Carlisle et al., Phys. Rev. Lett. 84, 3899 (2000).
4. W. X. Li et al., Phys. Rev. Lett. 90, 256102 (2003).
5. C. Doornkamp and V. Ponec, J. Mol. Catal. A 162, 19 (2000).
6. E. Lundgren et al., Phys. Rev. Lett. 92, 046101 (2004).
7. J. Gustafson et al., Phys. Rev. Lett. 92, 126102 (2004).
8. S. Helveg et al., Surf. Sci. 430, 533 (1999).
9. A. V. Walker and D. A. King, J. Chem. Phys. 109, 6879 (1998).
10. B. L. M. Hendriksen and J. W. M. Frenken, Phys. Rev. Lett. 89, 046101 (2002).
11. L. Österlund et al., Phys. Rev. Lett. 86, 460 (2001).
12. E. Laegsgaard et al., Rev. Sci. Instrum. 72, 3537 (2001).
13. In the oxygen structures studied by Helveg et al. no Pt atoms where pushed out from the close-packed ridges.
14. O binds differentially with 1.76 eV (1.59 eV) at middle (terminal) positions in the (12 × 2)-22 O structure, as estimated from calculations using (6 × 2) cells.
15. E. Vesselli et al., J. Chem. Phys. 114, 4221 (2001).
16. T. Gritsch et al., Surf. Sci. 257, 297 (1991).
17. N. A. Saliba et al., Surf. Sci. 419, 79 (1999).
18. Perdew-Wang 91 exchange correlation, ultrasoft pseudo-potentials, and plane waves cut off at 25 Ry are used. The slabs consist of five atomic layers of Pt(110), three of them fully relaxed, supporting O on one side. (8 × 8/N) k-point grids are used for surface Brillouin zone sampling for (1 × N), N = 2, 4, 8 surface cells.
19. The present model with 2 ML per strained (1 × 2) Pt(110) unit shows differential O binding of 1.72 eV close to the values obtained when including mismatch between the Pt ridge and the Pt(110) [14].
20. The Oxide Handbook, edited by G. V. Samsonov (IFI/ Plenum, New York, 1973).
21. K. Reuter and M. Scheffler, Phys. Rev. B 65, 035406 (2002).