Structure and properties of a model oxide-supported catalyst under redox conditions: WO x/α-Fe 2O 3 (0001)

Surface Science

Volumn 606, Issue 17-18, 2012, Pages 1367-1381

  McBriarty, M E ^a,b   Bedzyk, M J ^a,b   Ellis, D E ^b  

^a Northwestern University   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Density functional; Metal adsorption; Oxide surface; X ray standing wave; XAFS

Indexed keywords

DENSITY FUNCTIONALS; METAL ADSORPTION; OXIDE SURFACE; X-RAY STANDING WAVES; XAFS;

ADSORPTION; DENSITY FUNCTIONAL THEORY; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; IRON ORES; MONOLAYERS; PHOTOELECTRONS; SURFACE STRUCTURE; TUNGSTEN; X RAY ANALYSIS; X RAY PHOTOELECTRON SPECTROSCOPY;

STANDING WAVE METERS;

EID: 84862669805     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.04.023     Document Type: Article

References (37)

1. V.E. Henrich, and P.A. Cox The Surface Science of Metal Oxides 1994 Cambridge University Press
2. B. Weckhuysen, and D. Keller Catal. Today 78 2003 25
3. W. Weiss, and W. Ranke Prog. Surf. Sci. 70 2002 1
4. J. Jin, X. Ma, C.-Y. Kim, D.E. Ellis, and M.J. Bedzyk Surf. Sci. 601 2007 3082
5. J. Jin, X. Ma, C.-Y. Kim, D.E. Ellis, and M.J. Bedzyk Surf. Sci. 601 2007 4571
6. C.-Y. Kim, A.A. Escuadro, P.C. Stair, and M.J. Bedzyk J. Phys. Chem. C 111 2007 1874
7. S.L. Soled, G.B. McVicker, L.L. Murrell, L.G. Sherman, N.C. Dispenziere Jr., S.L. Hsu, and D. Waldman J. Catal. 111 1988 286
8. Z. Feng, C.-Y. Kim, J.W. Elam, Q. Ma, Z. Zhang, and M.J. Bedzyk J. Am. Chem. Soc. 131 2009 18200
9. L. Lietti, J.L. Alemany, P. Forzatti, G. Busca, G. Ramis, E. Giamello, and F. Bregani Catal. Today 29 1996 143
10. L. Ferretto, and A. Glisenti J. Mol. Catal. A 187 2002 119
11. P.E. Boahene, K.K. Soni, A.K. Dalai, and J. Adjaye Appl. Catal. A 402 2011 31
12. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
13. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
14. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
15. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
16. P.E. Bloechl Phys. Rev. B 50 1994 17953
17. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
18. I.de.P.R. Moreira, F. Illas, and R.L. Martin Phys. Rev. B 65 2002 155102
19. N.C. Wilson, and S.P. Russo Phys. Rev. B79 2009 094113
20. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
21. P. Pulay Chem. Phys. Lett. 73 1980 393
22. G. Henkelman, A. Arnaldsson, and H. Jónsson Comput. Mater. Sci. 36 2006 354
23. D.E. Ellis, and D. Guenzburger Adv. Quantum Chem. 34 1999 51 (and references therein)
24. A.R. Williams, R.A. deGroot, and C.B. Sommers J. Chem. Phys. 63 1975 628
25. W. Bergermayer, H. Schweiger, and E. Wimmer Phys. Rev. B 69 2004 195409
26. X.-G. Wang, W. Weiss, Sh.K. Shaikhutdinov, M. Ritter, M. Petersen, F. Wagner, R. Schlögl, and M. Scheffler Phys. Rev. Lett. 81 1998 1038
27. S. Polarz, J. Strunk, V. Ischenko, M. van den Berg, O. Hinrichsen, M. Muhler, and M. Driess Angew. Chem. Int. Ed. 45 2006 2965
28. M. Aizawa, Y. Morikawa, Y. Namai, H. Morikawa, and Y. Iwasawa J. Phys. Chem. B 109 2005 18831
29. A. Svane, and O. Gunnarsson Phys. Rev. Lett. 65 1990 1148
30. V.I. Anisimov, J. Zaanen, and O.K. Andersen Phys. Rev. B 44 1991 943
31. G. Rollmann, A. Rohrbach, P. Entel, and J. Hafner Phys. Rev. B 69 2004 165107
32. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
33. N.J. Mosey, P. Liao, and E.A. Carter J. Chem. Phys. 129 2008 014103
34. J.W. Elam, C.E. Nelson, R.K. Grubbs, and S.M. George Thin Solid Films 386 2001 41
35. Z.A. Sechrist, F.H. Fabreguette, O. Heintz, T.M. Phung, D.C. Johnson, and S.M. George Chem. Mater. 17 2005 3475
36. M. Sun, N. Xu, Y.W. Cao, and J.N. Yao J. Mater. Res. 15 2000 927
37. K. Senthil, and K. Yong Nanotechnology 18 2007 395604