Electronic and chemical properties of mixed-metal oxides: A adsorption of SO2 on SrTiO3(0 0 1)

Chemical Physics Letters

Volumn 365, Issue 5-6, 2002, Pages 380-386

  Rodriguez, J A ^a   Garcia J ^b   Gonzalez L ^b,c  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF ZARAGOZA   (Spain)

^c UNIVERSIDAD CENTRAL DE VENEZUELA   (Venezuela)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037073104     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01489-6     Document Type: Article

References (35)

1. C. Noguera, Physics and Chemistry at Oxide Surfaces, Cambridge University Press, Cambridge, UK, 1996.
2. M.J. Guittet, J.P. Crocombette, M. Gautier-Soyer, Phys. Rev. B 63 (2001) 125117.
3. F.S. Galasso, Structure, Properties and Preparation of Perovskite-Type Compounds, Pergamon Press, Oxford, 1969.
4. Symposium on the Characterization of Mixed-Metal Oxide Catalysts; 215th National Meeting of the American Chemical Society, Dallas TX, American Chemical Society, Washington DC, 1998.
5. L.G. Tejuca, J.L.G. Fierro, J.M.D. Táscon, Adv. Catal. 36 (1989) 237.
6. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, G. Borstell, Phys. Rev. B (2001) 235417.
7. J. Evans, H. Lee, in: S.V. Rao (Ed.), Topics in Enviromental Catalysis, Interscience, New York, 2001, p. 187.
8. F. Corà, C.R.A. Catlow, Faraday Discuss. 114 (1999) 421.
9. J.A. Rodriguez, Theoret. Chem. Accounts 107 (2002) 117.
10. J.A. Rodriguez, A. Etxeberria, L. González, A. Maiti, J. Chem. Phys. 117 (2002) 2699.
11. J. Goniakowski, C. Noguera, Surf. Sci. 365 (1996) L657.
12. B. Meyer, J. Padilla, D. Vanderbilt, Faraday Discuss. 114 (1999) 395.
13. A. Martínez, J. Nakamura, A. Fujimori, J. Anglada, F. García-Viesca (to be published).
14. A. Pieplu, O. Saur, J.-C. Lavalley, O. Legendre, C. Nedez, Catal. Rev.-Sci. Eng. 40 (1998) 409.
15. J.A. Rodriguez, T. Jirsak, L. González, J. Evans, M. Pérez, A. Maiti, J. Chem. Phys. 115 (2001) 10914.
16. G. Pacchioni, J.M. Ricart, F. Illas, J. Am. Chem. Soc. 116 (1994) 10152.
17. V. Milman, B. Winkler, J.A. White, C.J. Pickard, M.C. Payne, E.V. Akhmatskaya, R.H. Nobes, Int. J. Quantum Chem. 77 (2000) 895.
18. D.C. Sorescu, C.N. Rusu, J.T. Yates, J. Phys. Chem. B 104 (2000) 4408.
19. J.A. Rodriguez, J. Hrbek, Z. Chang, J. Dvorak, T. Jirsak, A. Maiti, Phys. Rev. B 65 (2002) 235414.
20. J.A. Rodriguez, G. Liu, T. Jirsak, J. Hrbek, Z. Chang, J. Dvorak, A. Maiti, J. Am. Chem. Soc. 124 (2002) 5242.
21. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13 (1976) 5188.
22. A. Bogicevic, S. Ovesson, P. Hyldgaard, B.L. Lundqvist, H. Brune, D.R. Jennison, Phys. Rev. Lett. 85 (2000) 1910.
23. J.P. Perdew, A. Zunger, Phys. Rev. B 23 (1981) 5048.
24. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865.
25. M.D. Segall, C.J. Pickard, R. Shah, M.C. Payne, Phys. Rev. B 54 (1996) 16317.
26. B. Delley, J. Chem. Phys. 113 (2000) 7756.
27. K.B. Wiberg, P.R. Rablen, J. Comput. Chem. 14 (1993) 1504.
28. A. Pojani, F. Finocchi, C. Noguera, Surf. Sci. 442 (1999) 179.
29. N.B. Brookes, D.S. Law, T.S. Padmore, D.R. Warburton, G. Thornton, Solid State Commun. 57 (1986) 473.
30. J.A. Rodriguez, J.C. Hanson, S. Chaturvedi, A. Maiti, J.L. Brito, J. Chem. Phys. 112 (2000) 935.
31. Z.-X. Chen, Y. Chen, Y.-S. Jiang, J. Phys. Chem. B 105 (2001) 5766.
32. V.E. Henrich, P.A. Cox, in: The Surface Science of Metal Oxides, Cambridge University Press, Cambridge, 1994, p. 39.
33. G. Pacchioni, A. Clotet, J.M. Ricart, Surf. Sci. 315 (1994) 337.
34. W.F. Schneider, J. Li, K.C. Hass, J. Phys. Chem. B 105 (2001) 6972.
35. J.A. Rodriguez, J.M. Ricart, A. Clotet, F. Illas, J. Chem. Phys. 115 (2001) 454.