Interactions of oxygen and hydrogen on Pd(1 1 1) surface

Surface Science

Volumn 602, Issue 14, 2008, Pages 2552-2557

  Demchenko, D O ^a   Sacha, G M ^a   Salmeron, M ^a   Wang, L W ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

ab initio Calculations; Density functional theory; Hydrogen; Oxygen; Palladium; Scanning tunneling microscopy

Indexed keywords

ADDITION REACTIONS; CALCULATIONS; DIFFUSION BARRIERS; FLOW INTERACTIONS; HYDROGEN; MATHEMATICAL TRANSFORMATIONS; MICROSCOPIC EXAMINATION; OXYGEN; PALLADIUM; PROBABILITY DENSITY FUNCTION; SCANNING PROBE MICROSCOPY; SCANNING TUNNELING MICROSCOPY;

(1 1 0) SURFACE; CO ADSORPTION; DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; DENSITY-FUNCTIONAL (DF); ELSEVIER (CO); LOW TEMPERATURE (LTR); ORDERED STRUCTURES; OXYGEN DIFFUSION; OXYGEN MOBILITY; PD (1 1 0); STRUCTURAL TRANSFORMATIONS; TOTAL ENERGIES; WATER FORMATION REACTION;

DENSITY FUNCTIONAL THEORY;

EID: 48149094565     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2008.06.004     Document Type: Article

References (36)

1. Over H. Prog. Surf. Sci. 58 (1998) 249
2. Engle T., and Kuipers H. Surf. Sci. 90 (1979) 181
3. Völkening S., Bedürftig K., Jacobi K., Wintterlin J., and Ertl G. Phys. Rev. Lett. 83 (1999) 2672
4. Bedürftig K., Völkening S., Wang Y., Wintterlin J., Jacobi K., and Ertl G. J. Chem. Phys. 111 (1999) 11147
5. Schick M., Xie J., Michell W.J., and Weinberg W.H. J. Chem. Phys. 104 (1996) 7713
6. Ljungström S., Kasemo B., Rosen A., Wahnström T., and Fridell E. Surf. Sci. 216 (1989) 63
7. de Meijere A., Kolasinski K.W., and Hasselbrink E. Faraday Discuss. 96 (1993) 265
8. Gibson K.D., Colonell J.I., and Sibener S.J. Faraday Discuss. 103 (1995) 6735
9. Wilke S., Natoli V., and Cohen M.H. J. Chem. Phys. 112 (2000) 9986
10. Rose M.K., Borg A., Dunphy J.C., Mitsui T., Ogletree D.F., and Salmeron M. Surf. Sci. 547 (2003) 162
11. Rose M.K., Borg A., Dunphy J.C., Mitsui T., Ogletree D.F., and Salmeron M. Surf. Sci. 561 (2004) 69
12. Conrad H., Ertl G., and Latta E.E. Surf. Sci. 41 (1974) 435
13. Louie S.G. Phys. Rev. Lett. 42 (1979) 476
14. Felter T.E., Foiles S.M., Daw M.S., and Stulen R.H. Surf. Sci. 171 (1986) L379
15. Seitsonen A.P., Kim Y.D., Schwegmann S., and Over H. Surf. Sci. 468 (2000) 176
16. Felter T.E., Sowa E.C., and Van Hove M.A. Phys. Rev. B 40 (1989) 891
17. Behm R.J., Penka V., Cattania M.-G., Christmann K., and Ertl G. J. Chem. Phys. 78 (1983) 7486
18. Daw M.S., and Foiles S.M. Phys. Rev. B 35 (1987) 2128
19. Løvvik O.M., and Olsen R.A. Phys. Rev. B 58 (1998) 10890
20. Mitsui T., Rose M.K., Fomin E., Ogletree D.F., and Salmeron M. Nature 422 (2003) 705
21. Mitsui T., Rose M.K., Fomin E., Ogletree D.F., and Salmeron M. Surf. Sci. 540 (2003) 5
22. Conrad H., Ertl G., and Küppers J. Surf. Sci. 76 (1978) 323
23. Mitsui T., Rose M.K., Fomin E., Ogletree D.F., and Salmeron M. Surf. Sci. 511 (2002) 259
24. Kresse G., and Hafner J. Phys. Rev. B 49 (1994) 14251
25. Kresse G., and Furthmuller J. Comput. Mater. Sci. 6 (1996) 15
26. Wang Y., and Perdew J.P. Phys. Rev. B 44 (1991) 13298
27. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
28. Zhang Y., Blum V., and Reuter K. Phys. Rev. B 75 (2007) 235406
29. Pulay P. Chem. Phys. Lett. 73 (1980) 393
30. Blanco J.M., González C., Jelínek P., Ortega J., Flores F., Pérez R., Rose M., Salmeron M., Méndez J., Wintterlin J., and Ertl G. Phys. Rev. B 71 (2005) 113402
31. Rose M.K., Mitsui T., Borg A., Ogletree D.F., and Salmeron M. J. Chem. Phys. 115 (2001) 10927
32. Tang H., Van A., der Ven B.L., and Trout B.L. Phys. Rev. B 70 (2004) 045420
33. Mooij W.T.M., van Duijneveldt F.B., van Duijneveldt-van J.G.C.M., de Rijdt B.P., and van Eijck B.P. J. Phys. Chem. A 103 (1999) 9872
34. Todorova M., Reuter K., and Scheffler M. J. Phys. Chem. B 108 (2004) 14477
35. Paul J.F., and Sautet P. Phys. Rev. B 53 (1996) 8015
36. Morin C., Simon D., and Sautet P. Surf. Sci. 600 (2006) 1339