A theoretical study of the Na-TiO2 (001) rutile interaction

Journal of Molecular Catalysis A: Chemical

Volumn 119, Issue 1-3, 1997, Pages 135-142

  Jimenez Calzado C ^a   Oviedo, J ^a   San Miguel, M A ^a   Fernandez Sanz J ^a  

^a UNIVERSITY OF SEVILLE   (Spain)

Author keywords

Adsorption; Reduction; Rutile; Sodium

Indexed keywords

EID: 0343144829     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(96)00477-3     Document Type: Article

References (21)

1. H. Onishi, T. Aruga, C. Egawa and Y. Iwasawa, Surf. Sci. 199 (1988) 54.
2. R. Casanova, K. Prabhakaran and G. Thornton, J. Phys.: Condens. Matter 3 (1991) S91.
3. P.J. Hardman, R. Casanova, K. Prabhakaran, C.A. Muryn, P.L. Wincott and G. Thornton, Surf. Sci. 269-270 (1992) 677.
4. K. Prabhakaran, D. Purdie, R. Casanova, C.A. Muryn, P.J. Hardman, R. Lindsay, P.L. Wincott and G. Thornton, Phys. Rev. B 45 (1992) 6969.
5. R.J. Lad and L.S. Dake, Proc. Mater. Res. Soc. 238 (1992) 823.
6. P.A. Taylor, R. Leysen and B.J. Hopkins, Solid State Commun. 17 (1975) 983.
7. S. Kennou, M. Karamatos and C.A. Papageorgopoulos, Vacuum 41 (1990) 22.
8. B. Silvi, N. Fourati, R. Nada and C.R.A. Catlow, J. Phys. Chem. Solids 52 (1991) 1005.
9. A. Fahmi, C. Minot, B. Silvi and M. Causá, Phys. Rev. B 47 (1993) 11717.
10. C. Sousa and F. Illas, Phys. Rev. B 50 (1994) 13974.
11. P.A. Cox, F.W.H. Dean and A.A. Williams, Vacuum 33 (1983) 839.
12. C.G. Mason, S.P. Tear, T.N. Doust and G. Thornton, J. Phys.: Condens. Matter 3 (1991) 597.
13. C. Jiménez Calzado, M.A. San Miguel Barrera, J. Oviedo and J. Fernández Sanz, in preparation.
14. W.J. Stevens, H. Basch and M. Krauss, J. Chem. Phys. 81 (1984) 6026.
15. W.J. Stevens, M. Krauss, H. Basch and P.G. Jasien, Can. J. Chem. 70 (1992) 612.
16. J.Q. Broughton and P.S. Bagus, Phys. Rev. B 30 (1984) 4761; 36 (1987) 2813.
17. J.Q. Broughton and P.S. Bagus, Phys. Rev. B 30 (1984) 4761; 36 (1987) 2813.
18. B.O. Roos, P.M. Taylor and P.E.M. Siegbahn, Chem. Phys. 48 (1980) 157; P.E.M. Siegbahn, J. Almlof, A. Heiberg and B.O. Roos, J. Chem. Phys. 74 (1981) 2384; B.O. Roos, Int. J. Quantum Chem. S14 (1980) 175.
19. B.O. Roos, P.M. Taylor and P.E.M. Siegbahn, Chem. Phys. 48 (1980) 157; P.E.M. Siegbahn, J. Almlof, A. Heiberg and B.O. Roos, J. Chem. Phys. 74 (1981) 2384; B.O. Roos, Int. J. Quantum Chem. S14 (1980) 175.
20. B.O. Roos, P.M. Taylor and P.E.M. Siegbahn, Chem. Phys. 48 (1980) 157; P.E.M. Siegbahn, J. Almlof, A. Heiberg and B.O. Roos, J. Chem. Phys. 74 (1981) 2384; B.O. Roos, Int. J. Quantum Chem. S14 (1980) 175.
21. M. Dupuis, S. Chin and A. Márquez, in: G.L. Malli (Editor), Relativistic and Electron Correlation Effects in Molecules and Clusters, NATO ASI Series, Plenum Press, New York, 1994.