Nanoclusters of TiO2 wetted with gold

Surface Science

Volumn 603, Issue 20, 2009, Pages 3131-3135

  Park, K T ^a   Meunier, V ^b   Pan, M H ^b   Shelton, W A ^b   Yu, N H ^a   Plummer, E W ^c  

^a BAYLOR UNIVERSITY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

Carbon monoxide; Chemisorption; Density functional calculations; Gold; Scanning tunneling microscopy; Surface structure, morphology, roughness and topography; Titanium oxide

Indexed keywords

ATOMISTIC MODELS; AU NANOPARTICLE; DENSITY FUNCTIONAL CALCULATIONS; LOW COORDINATION; LOW-TEMPERATURE CO OXIDATION; STRONG BINDING; TIO;

ATOMS; BINDING ENERGY; BINDING SITES; CARBON MONOXIDE; CHEMISORPTION; GOLD; NANOCLUSTERS; NANOPARTICLES; SCANNING; SCANNING TUNNELING MICROSCOPY; SURFACE MORPHOLOGY; SURFACE TOPOGRAPHY; TITANIUM; TITANIUM OXIDES; TOPOGRAPHY; WIND TUNNELS;

DENSITY FUNCTIONAL THEORY;

EID: 70349501360     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.08.028     Document Type: Article

References (30)

1. In: Samsonov G.V. (Ed). The Oxide Handbook (1982), IFI/Plenum, New York
2. Bonnell D.A., and Garra J. Rep. Prog. Phys. 71 (2008) 044501
3. Park K.T., Pan M.H., Meunier V., and Plummer E.W. Phys. Rev. Lett. 96 (2006) 226105
4. Park K.T., Pan M.H., Meunier V., and Plummer E.W. Phys. Rev. B 75 (2007) 245415
5. Shibata N., Goto A., Choi S.-Y., Mizoguchi T., Findlay S.D., Yamamoto T., and Ikuhara Y. Science 322 (2008) 570
6. Bennett R.A., Stone P., Price N.J., and Bowker M. Phys. Rev. Lett. 82 (1999) 3831
7. McCarty K.F. Surf. Sci. 543 (2003) 185
8. Wendt S., Schaub R., Matthiesen J., Vestergaard E.K., Wahlström E., Rasmussen M.D., Thostrup P., Molina L.M., Lægsgaard E., Stensgaard I., Hammer B., and Besenbacher F. Surf. Sci. 598 (2005) 226
9. The calculations presented in this work have been performed using the VASP package, see the following references for details:. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
10. Kresse G., and Furthmuller J. Comput. Mater. Sci. 6 (1996) 15
11. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
12. Blöchl P.E. Phys. Rev. B 50 (1994) 17953
13. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
14. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
15. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
16. Anpo M., and Thomas J.M. Chem. Commun. (2006) 3273
17. Warschkow O., Wang Y., Subramanian A., Asta M., and Marks L.D. Phys. Rev. Lett. 100 (2008) 086102
18. K.T. Park, M. Pan, V. Meunier, W. Shelton, S. Kalinin, A.P. Baddorf, E.W. Plummer, in: S.W. Lu, H. Hahn, J. Weissmuller, J.L. Gole (Eds.), Nanoporous and Nanostructured Materials for Catalysis, Sensor, and Gas Separation Applications, Mater. Res. Soc. Symp. Proc., vol. 876E, Warrendale, PA, 2005.
19. Matthey D., Wang J.G., Wendt S., Matthiesen J., Schaub R., Lægsgaard E., Hammer B., and Besenbacher F. Science 315 (2007) 1692
20. Lopez N., and NØrskov J.K. Surf. Sci. 515 (2002) 175
21. Madsen G.K., and Hammer B. J. Chem. Phys. 130 (2009) 044704
22. Tersoff J., and Hamann D.R. Phys. Rev. B 31 (1985) 805 as implemented in the BSKAN package (W.A. Hofer, J. Redinger, Surf. Sci. 447 (2000) 51.)
23. Valden M., Lai X., and Goodman D.W. Science 281 (1998) 1647
24. Fu Q., Saltsburg H., and Flytzani-Stephanopoulos M. Science 301 (2003) 935
25. Guzman J., and Gates B.C. J. Am. Chem. Soc. 126 (2004) 2672
26. Hutchings G.J., et al. J. Catal. 242 (2006) 71
27. Meyer R., Lemire C., Shaikhutdinov Sh.K., and Freund H.-J. Gold Bull. 37 (2004) 72 and references therin
28. Haruta M., and Daté M. Appl. Catal. A 222 (2001) 427
29. Molina L.M., and Hammer B. Phys. Rev. Lett. 90 (2003) 206102
30. Wu X., Senapati L., Nayak S.K., Selloni A., and Hajaligol M. J. Chem. Phys. 117 (2002) 4010