First-principles studies of the √ 7 × √ 7 R 19.1 ° structure of sulfur on the Pd(1 1 1) surface

Surface Science

Volumn 601, Issue 21, 2007, Pages 4899-4909

  Alfonso, Dominic R ^a,b  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b Parsons   (United States)

Author keywords

Density functional theory calculations; Metallic surfaces; Palladium; Sulfur; Surface structure

Indexed keywords

DENSITY FUNCTIONAL THEORY; MATHEMATICAL MODELS; MONOLAYERS; PALLADIUM COMPOUNDS; SCANNING TUNNELING MICROSCOPY; SURFACE STRUCTURE;

METALLIC SURFACES; PENTAGONS; REHYBRIDIZATION; SULFUR-METAL OVERLAYER STRUCTURES;

SULFUR COMPOUNDS;

EID: 35448971899     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.08.016     Document Type: Article

References (50)

1. Arnold H., Döbert F., and Gaube J. In: Ertl G., Knözinger H., and Weitkamp J. (Eds). Handbook of Heterogenous Catalysis (1997), Wiley-VCH, Weinheim, Germany 1211
2. Antos G.J., Aitani A.M., and Parera J.M. Catalytic Naptha Reforming: Science and Technology (1995), Marcel Dekker, New York
3. Sarkany A. Appl. Catal. A 165 (1997) 87
4. Cooper B.H., and Donnis B.B.L. Appl. Catal. A 137 (1996) 203
5. Criscuoli A., Basile A., Drioli E., and Loiacono O. J. Membr. Sci. 181 (2001) 21
6. Tosti S., Bettinali L., and Violante V. Int. J. Hydrogen Energ. 25 (2000) 319
7. Armor J.N. J. Membr. Sci. 147 (1998) 217
8. Basile A., Drioli E., Santella F., Violante V., Capannelli G., and Vitulli G. Gas Sep. Purif. 10 (1996) 53
9. Prabhu A.K., Liu A., Lovell L.G., and Oyama S.T. J. Membr. Sci. 177 (2000) 83
10. Hilaire S., Wang X., Luo T., Gorte R.J., and Wagner J.A. Appl. Catal. A 215 (2001) 271
11. Criscuoli A., Basile A., and Drioli E. Catal. Today 56 (2000) 53
12. Marigliano G., Barbieri J., and Drioli E. Chem. Eng. Process. 42 (2003) 231
13. Basile A., Chiappetta G., Tosti S., and Violante V. Sep. Purif. Technol. 25 (2001) 549
14. Uemiya S., Sato N., Ando H., and Kikuchi E. Ind. Eng. Chem. Res. 30 (1991) 585
15. Shu J., Grandjean B.P.A., Neste A.V., and Kaliaguine S. Can. J. Chem. Eng. 69 (1991) 1036
16. Lee J., and Rhee H. J. Catal. 177 (1998) 208
17. Oudar J., and Wise H. Deactivation and Poisoning of Catalysts (1991), Dekker, New York
18. Rodriguez J.A., and Hrbek J. Acc. Chem. Res. 32 (1999) 719
19. Maca F., Scheffler M., and Berndt W. Surf. Sci. 160 (1985) 467
20. Grillo M.E., Stampfl C., and Berndt W. Surf. Sci. 317 (1994) 84
21. Patterson C.H., and Lambert R.M. Surf. Sci. 187 (1987) 339
22. Forbes J.G., Gellmann A.J., Dunphy J.C., and Salmeron M. Surf. Sci. 279 (1992) 68
23. Liu W., Mitchell K.A.R., and Berndt W. Surf. Sci. 393 (1997) L119
24. Dhanak V.R., Shard A.G., Cowie B.C.C., and Santoni A. Surf. Sci. 410 (1998) 321
25. Rodriguez J.A., Chatuvedi S., and Jirsak T. Chem. Phys. Lett. 296 (1998) 421
26. Speller S., Rauch T., Bömermann J., Bormann P., and Heiland W. Surf. Sci. 441 (1999) 107
27. Speller S., Rauch T., Postnikov A., and Heiland W. Phys. Rev. B 61 (2000) 7297
28. Alfonso D.R. Surf. Sci. 596 (2005) 229
29. Prince N.P., Seymour D.L., Ashwin M.J., McConville C.F., Woodruff D.P., and Jones R.G. Surf. Sci. 230 (1990) 13
30. Liu W., Wong K.C., and Mitchell K.A.R. Surf. Sci. 372 (1997) 312
31. Alfonso D.R. Surf. Sci. 600 (2006) 4508
32. Kresse G., and Hafner J. Phys. Rev. B 49 (1994) 14251
33. Kresse G., and Fürthmuller J. Phys. Rev. B 54 (1996) 11169
34. Perdew J.P., Burke K., and Enzerhof M. Phys. Rev. Lett. 77 (1996) 3865
35. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
36. Kittel C. Introduction to Solid State Physics. sixth ed. (1986), Wiley, NY
37. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
38. Methfessel M., and Paxton A.T. Phys. Rev. B 40 (1989) 3616
39. Bollinger M.V., Jacobsen K.W., and Nørskov J.K. Phys. Rev. B 67 (2003) 085410
40. Raybaud P., Hafner J., Kresse G., Kasztelan S., and Toulhoat H. J. Catal. 189 (2000) 129
41. Scheffler M., and Stampfl C. In: Horn K., and Scheffler M. (Eds). Handbook of Surface Science (1999), Elsevier, Amsterdam
42. Reuter K., and Scheffler M. Phys. Rev. B 65 (2002) 35406
43. Miller A.P., and Brockhouse B.N. Can. J. Phys. 49 (1971) 704
44. Stull D.R., and Prophet H. JANAF Thermochemical Tables. second ed. (1971), US National Bureau of Standards, Washington, DC
45. Frenkel D., and Smit B. Understanding Molecular Simulation. second ed. (2002), Academic Press, San Diego
46. Sun Q., Reuter K., and Scheffler M. Phys. Rev. B 67 (2003) 205424
47. Zubkov A., Fujino T., Sato N., and Yamada K. J. Chem. Thermodyn. 30 (1998) 571
48. Wyckoff R.W.G. Crystal Structures (1963), Wiley, New York
49. Tersoff J., and Hamann D.R. Phys. Rev. B 31 (1985) 805
50. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671