Local environment of electrons trapped at the MgO surface: Spin density on the oxygen ions from17O hyperfine coupling constants

Journal of Physical Chemistry B

Volumn 108, Issue 31, 2004, Pages 11529-11534

  Chiesa, Mario ^a   Martino, Paola ^a   Giamello, Elio ^a,c   Di Valentin, Cristiana ^b   Del Vitto, Annalisa ^b   Pacchioni, Gianfranco ^b  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF MILANO BICOCCA   (Italy)

^c Dipartimento di Chimica IFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRAPS; HYDRATION; HYDROGEN; ISOTOPES; OXYGEN; PARAMAGNETIC MATERIALS; PARAMAGNETIC RESONANCE; POLYCRYSTALLINE MATERIALS; PROBABILITY; PROTONS; QUANTUM THEORY; SPECTRUM ANALYSIS; ULTRAVIOLET RADIATION;

COUPLING CONSTANT; OXYGEN IONS; PARAMAGNETIC CENTERS; SPIN DENSITY;

MAGNESIA;

EID: 4143110075     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0497357     Document Type: Article

References (28)

1. Schluman, J. H.; Compton, W. D. Color Centers in Solids; Pergamon Press: Oxford, 1962.
2. Matsuishi, S.; Toda, Y.; Miyakawa, M.; Hayashi, K.; Kamiya, T.; Hirano, M.; Tanaka, I.; Hosono, H. Science 2003, 301, 626.
3. Cernette, D. P.; Ichimura, A. S.; Aurbin, S.; Dye, J. L. Chem. Mater. 2003, 15, 1441.
4. Giamello, E.; Paganini, M. C.; Murphy, D. M.; Ferrari, A. M.; Pacchioni, G. J. Phys. Chem. B, 1997, 101, 971.
5. Chiesa, M.; Giamello, E.; Paganini, M. C.; Pacchioni, G.; Soave, R.; Murphy, D. M.; Sojka, Z. J. Phys. Chem. B 2001, 105, 497.
6. Chiesa, M.; Paganini, M. C.; Giamello, E.; Murphy, D. M.; Sojka, Z. J. Chem. Phys. B 2002, 116, 4266.
7. Feher, G. Phys. Rev. 1957, 105, 1122.
8. de Boer, J. H. Recl. Trav. Chim. 1937, 56, 301.
9. Sterrer, M.; Berger, T.; Diwald, O.; Knozinger, E. J. Am. Chem. Soc. 2003, 125, 195.
10. Murphy, D. M.; Yacob, A.; Purnell, I. J.; Farley, R. D.; Rowlands, C. C.; Paganini, M. C.; Giamello, E. J. Phys. Chem. B 1999, 103, 1944.
11. Paganini, M. C.; Chiesa, M.; Giamello, E.; Martra, G.; Coluccia, S.; Murphy, D. M.; Pacchioni, G. Surf. Sci. 1999, 421, 246.
12. Chiesa, M.; Paganini, M. C.; Giamello, E.; Murphy, D. Langmuir 1997, 13, 5306.
13. Diwald, O.; Hofmann, P.; Knözinger, E. Phys. Chem. Chem. Phys. 1999, 1, 713.
14. Ricci, D.; Di Valentin, C.; Pacchioni, G.; Sushko, P. V.; Shluger, A. L.; Giamello, E. J. Am. Chem. Soc. 2003, 125, 738.
15. Scorza, E.; Birkenheuer, U.; Pisani, C. J. Chem. Phys. 1997, 107, 9645.
16. Chiesa, M.; Paganini, M. C.; Giamello, E.; DiValentin, C.; Pacchioni, G. Angew. Chem., Int. Ed. 2003, 42, 1759.
17. Allsop, A. L.; Owen, J.; Hughes, A. E. J. Phys. C 1973, 6, L337.
18. Adamski, A.; Spalek, T.; Sojka, Z. Res. Chem. Indermed. 2003, 29, 793.
19. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
20. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
21. Weil, J. A.; Bolton, J. R.; Wertz, J. E. Electron Paramagnetic Resonance; John Wiley & Sons: New York, 1994.
22. Susko, P. V.; Shluger, A. L.; Catlow, C. R. A. Surf. Sci. 2000, 450, 153.
23. Francl, M. M.; Petro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; De Frees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
24. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
25. Barone, V. In Recent Advances in Density Functional Methods, Part I; Chong, D. P., Ed.; World Scientific: Singapore, 1996.
26. Pacchioni, G.; Frigoli, F.; Ricci, D.; Weil, J. A. Phys. Rev. B 2001, 63, 054102.
27. Frisch, M. J. et al. Gaussian 98, Revision A.6; Gaussian Inc.: Pittsburgh, PA, 1998.
28. Chiesa, M.; Paganini, M. C.; Giamello, E.; Di Valentin, C.; Del Vitto, A.; Pacchioni, G. to be published.