Adsorption of Au atoms on stoichiometric and reduced TiO2(1 1 0) rutile surfaces: A first principles study

Surface Science

Volumn 542, Issue 1-2, 2003, Pages 72-80

  Wang, Yun ^a   Hwang, Gyeong S ^a  

^a The University of Texas at Austin   (United States)

Author keywords

Atom solid interactions; Density functional calculations; Gold; Low index single crystal surfaces; Surface defects; Surface structure, morphology, roughness, and topography; Titanium oxide

Indexed keywords

CHEMICAL BONDS; DEFECTS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; STOICHIOMETRY; SURFACE STRUCTURE; TITANIUM DIOXIDE;

SURFACE DEFECTS;

ADSORPTION;

EID: 0041387545     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(03)00925-7     Document Type: Article

References (44)

1. Haruta M., Tsubota S., Kobayashi T., Kageyama H., Genet M.J., Delmont B. J. Catal. 144:1993;175.
2. Haruta M. Catal. Today. 36:1997;153.
3. Jia J., Haraki K., Domen M.A., Tamaru K. J. Phys. Chem. B. 104:2000;11153.
4. Bollinger M., Vannice M.A. Appl. Catal. B: Environ. 8:1996;417.
5. Valden M., Lai X., Goodman D.W. Science. 281:1998;1647.
6. Zhang L., Persaud R., Madey T.E. Phys. Rev. B. 56:1997;10549.
7. Kolmakov A., Goodman D.W. Catal. Lett. 70:2000;93.
8. Parker S.C., Grant A.W., Bondzie V.A., Compbell C.T. Surf. Sci. 441:1999;10.
9. Cunningham D.A.H., Vogel W., Kageyama H., Tsubota S., Haruta M. J. Catal. 177:1998;1.
10. Sanchez A., Abbet S., Heiz U., Schneider W.D., Hakkinen H., Barnett R.N., Landman U. J. Phys. Chem. A. 103:1999;9573.
11. Charlton G., Howes P., Nicklin C., Steadman P., Taylor J., Muryn C., Harte S., Mercer J., McGrath R., Norman D., Turner T., Thornton G. Phys. Rev. Lett. 78:1997;495.
12. Diebold U., Anderson J.F., Ng K.-O., Vanderbilt D. Phys. Rev. Lett. 77:1996;322.
13. Guo Q., Cocks I., Williams E.M. Phys. Rev. Lett. 77:1998;1579.
14. Pang C.L., Haycock S.A., Raza H., Murray P.W., Thornton G., Gulesren O., James R., Bullett D.W. Phys. Rev. B. 58:1998;1586.
15. Bennett R.A., Stone P., Price N.J., Bowker M. Phys. Rev. Lett. 82:1999;3831.
16. Bates S.P., Kresse G., Gillan M.J. Surf. Sci. 385:1997;386.
17. Lindan P.J.D., Harrison N.M., Gillan M.J., White J.A. Phys. Rev. B. 55:1997;15919.
18. Bredow T., Pacchioni C. Chem. Phys. Lett. 355:2002.
19. Reinhardt P., Hess B.A. Phys. Rev. B. 50:1994;12015.
20. Ng K.-O., Vanderbilt D. Phys. Rev. B. 56:1997;10544.
21. Thiên-Nga L., Paxon A.T. Phys. Rev. B. 58:1998;13233.
22. Yang Z., Wu R., Goodman D.W. Phys. Rev. B. 61:2000;14066.
23. Lopez N., Nørskov J.K. Surf. Sci. 515:2002;175.
24. Giordano L., Pacchioni G., Bredow T., Sanz J.F. Surf. Sci. 471:2001;21.
25. Onishi H., Iwasawa Y. Surf. Sci. 313:1994;L783.
26. Murray P.W., Condon N.G., Thornton G. Phys. Rev. B. 51:1995;10989.
27. Schaub R., Wahlström E., Rønnau A., Lægsgaard E., Stensgaad I., Besenbacher F. Science. 299:2003;377.
28. Kress G., Hafner J. Phys. Rev. B. 47:1993;RC558 Kresse G., Furthmüller J. Phys. Rev. B. 54:1996;11169.
29. Kress G., Hafner J. Phys. Rev. B. 47:1993;RC558 Kresse G., Furthmüller J. Phys. Rev. B. 54:1996;11169.
30. Perdew J., Chevary J., Vosko S., Jackson K., Pederson M., Singh D., Fiolhais C. Phys. Rev. B. 46:1992;6671.
31. Ceperley D.M., Alder B.J. Phys. Rev. Lett. 45:1980;566.
32. Perdew J., Zunger A. Phys. Rev. B. 23:1981;5048.
33. Mattsson A.E., Jennison D.R. Surf. Sci. 520:2002;L611.
34. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
35. Kresse G., Hafner J. J. Phys.: Condens. Matter. 6:1994;8245.
36. Bates S.P., Gillan M.J., Kresse G. I. Chem. Phys. B. 102:1998;2017.
37. Vinet P., Ferrante J., Smith J.R., Hose J.H. J. Phys.: Condens. Matter. 19:1986;L467.
38. Muscat J., Harrison N.M., Thorntom G. Phys. Rev. B. 59:1999;2320.
39. Harrison N.M., Wang X.G., Muscat J., Scheffler M. Faraday Discuss. 114:1999;305.
40. Bogicevic A., Jennison D.R. Surf. Sci. 515:2002;L481.
41. Vittadini A., Selloni A. J. Chem. Phys. 117:2002;353.
42. Eichler A., Hafner J., Furthmüller J., Kresse G. Surf. Sci. 346:1996;300.
43. Hammer B., Nørskov J.K. Surf. Sci. 343:1996;261.
44. Zhukovskii Y.F., Kotomin E.A., Jacobs P.W.M., Stoneham A.M. Phys. Rev. Lett. 84:2000;1256.