Modeling alkali atoms deposition on TiOi (110) surface

Journal of Physical Chemistry B

Volumn 105, Issue 9, 2001, Pages 1794-1798

  San Miguel, M A ^a   Calzado, C J ^b   Sanz, J F ^b  

^a UNIVERSITY OF SEVILLE   (Spain)

^b European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHARGE TRANSFER; COMPUTER SIMULATION; DEPOSITION; MOLECULAR DYNAMICS; OXYGEN; RELAXATION PROCESSES;

SELECTIVE ELECTRON TRANSFER;

TITANIUM DIOXIDE;

EID: 0035280756     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002288k     Document Type: Article

References (34)

1. Henrich, V. A.; Cox, P. A. The Surface Science of Metal Oxides; Cambridge University Press: Cambridge, 1994.
2. Linsebigler, A. L.; Lu, G.; Yates, J. T. Chem. Rev. 1995, 95, 735.
3. Barteau, M. A. Chem. Rev. 1995, 96, 1413
4. Onishi, H.; Aruga, T.; Esawa, C.; Iwasawa, Y. J. Client. Soc., Faraday Trans, l 1989, 85, 2597.
5. (5)"Onishi, H.; Iwasawa, Y. Catal. Lett. 1996, 38, 89.
6. Prabhakaran, K.; Purdie, D.; Casanova, R.; Muryn, C. A.; Hardman, P. J.; Wincott, P. L.; Thornton, G. Pliys. Rev. B 1992, 45, 6969.
7. See, A. K.; Bartynski, R. A. Pliys. Rev. B 1994, 50, 12064.
8. Okamura, T.; Okushi, H. Jpn. J. Appl. Phys. 1993, 32, L454.
9. San Miguel, M. A.; Calzado, C. J.; Sanz, J. F. Int. J. Quantum Chem. 1998, 70, 351.
10. San Miguel, M. A.; Calzado, C. J.; Sanz, J. F. Surf. Sei. 1998, 409,92.
11. Calzado, C. J.; San Miguel, M. A.; Sanz, J. F. J. Phys. Client. B 1999, 103, 480.
12. Sanz, J. F.; Zicovich-Wilson, C. M. Client. Pliys. Lett. 1999, 303, 111.
13. Onishi, H.; Aruga, T.; Egawa, C.; Iwasawa, Y. Surf. Sei. 1988, /99, 54.
14. Nerlov, J.; Christensen, S. V.; Weichel, S.; Pedersen, E. H.; Moller, P. J. Surf. Sei. 1997, 371, 321.
15. Casanova, R.; Prabhakaran, K.; Thornton, G. J. Pliys. Condens. Matter 1991, 5,591.
16. Heise, R.; Courths, R. Surf. Sei. 1995, 331-333, 1460.
17. Heise, R.; Courths, R. Suif. Rev. Lett. 1995, 2, 147.
18. Lad, P. J.; Dake, L. S. Mater. Res. Soc. Syntp. Proc. 1992, 238, 823.
19. Souda, R.; Hayami, W.; Aizawa, T.; Ishizawa, Y. Surf. Sei. 1993, 255, 265.
20. Muscat, J.; Harrison, N. M.; Thomton, G. Pliys. Rev. B 1999, 59, 15457.
21. Bredow, T.; Apra, E.; Catti, M.; Pacchioni, G. Surf. Sei. 1998,418, 150.
22. Bredow, T. Int. J. Quantum Chem. 1999, 75, 127.
23. Brause, M.; Skordas, S.; Kempter, V. Surf. Sei. 224.00, 445,
24. Hird, B.; Armstrong, R. A. Surf. Sei. 1999, 431, L570.
25. Charlton, G.; Howes, P. B.; Nickiin, C. L.; Steadman, P.; Taylor, J. S. G.; Muryn, C. A.; Harte, S. P.; Mercer, J.; McGrath, R.; Norman, D.; Turner, T. S.; Thornton, G. Phys. Rev. Lett. 1997, 78, 495.
26. Reinhardt, P.; Hess, A. Phys. Rev. B 1994, 50, 12015.
27. Ramamoorthy, M.; Vanderblit, D.; King-Smith, R. D. Phys. Rev. B 1994, 49, 16721.
28. Oliver, P. M.; Watson, G. W.; Kelsey, E. T.; Parker, S. C. J. Mater. Chem. 1997, 7, 563.
29. Rittner, F.; Fink, R.; Boddenberg, B.; Staemmler, V. Ph\s. Rev. B 1998, 57, 4160.
30. Reinhardt, P.; Causa, M.; Marian, C. M.; Hess, B. A. Ph\s. Rev. B 1996,54,14812.
31. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
32. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270; 1985, 82, 284; 1985, 82, 299.
33. San Miguel, M. A. Ph.D. Thesis, Universidad de Sevilla, Sevilla, Spain, 1998.
34. Matsui, M.; Akaogi, M. Mol. Simul. 1991, 6, 239.