O- radical anions on polycrystalline MgO

Surface Science

Volumn 521, Issue 3, 2002, Pages 104-116

  Di Valentin, Cristiana ^a   Ricci, Davide ^a   Pacchioni, Gianfranco ^a   Chiesa, Mario ^b   Paganini, Maria Cristina ^b   Giamello, Elio ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

Ab initio quantum chemical methods and calculations; Electron spin resonance; Magnesium oxides; Surface defects

Indexed keywords

BLEACHING; COMPUTATIONAL METHODS; ELECTRON TRAPS; ENTHALPY; IRRADIATION; MAGNESIA; MORPHOLOGY; NEGATIVE IONS; OXYGEN; PARAMAGNETIC RESONANCE; QUANTUM THEORY; SURFACE CHEMISTRY; X RAY ANALYSIS;

HOLE CENTERS; RADICAL ANIONS;

POLYCRYSTALLINE MATERIALS;

EID: 0037146850     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(02)02309-9     Document Type: Article

References (60)

1. Colbourn E.A. Surf. Sci. Rep. 15:1992;281.
2. Shluger A.L., Gale J.D., Catlow C.D.A. J. Phys. Chem. 96:1992;10389.
3. Ferrari A.M., Pacchioni G. J. Phys. Chem. 99:1995;17010.
4. Pelmenschikov A.G., Morosi G., Gamba A., Coluccia S. J. Phys. Chem. B. 99:1995;15018.
5. Scorza E., Birkenheuer U., Pisani C. J. Chem. Phys. 107:1997;9645.
6. Pacchioni G., Pescarmona P. Surf. Sci. 412/413:1998;657.
7. Sousa C., Illas F. J. Chem. Phys. 115:2001;1435.
8. Wu M.C., Truong C.M., Coulter K., Goodman D.W. J. Am. Chem. Soc. 96:1992;10389.
9. Kantorovich L.N., Holender J.M., Gillan M.J. Surf. Sci. 343:1995;221.
10. Boldyrev A.I., Simons J. J. Phys. Chem. 100:1996;9032.
11. Orlando R., Millini R., Perego G., Dovesi R. J. Mol. Cat. A. 119:1997;2653.
12. Pacchioni G. Surf. Rev. Lett. 7:2000;277.
13. Paganini M.C., Chiesa M., Giamello E., Coluccia S., Martra G., Murphy D.M., Pacchioni G. Surf. Sci. 421:1999;246.
14. D'Ercole A., Giamello E., Pisani C., Ojamäe L. J. Phys. Chem. 103:1999;3872.
15. Tench A.J., Nelson R.L. J. Colloid Interf. Sci. 26:1968;364.
16. Tench A.J. Surf. Sci. 101:1971;971.
17. Giamello E., Murphy D., Ravera L., Coluccia S., Zecchina A. J. Chem. Soc. Faraday Trans. 90:1994;3167.
18. Giamello E., Paganini M.C., Murphy D., Ferrari A.M., Pacchioni G. J. Phys. Chem. 101:1997;971.
19. Henrich V.E., Dresselhaus G., Zeiger H.J. Phys. Rev. B. 22:1980;4764.
20. Peterka D., Tegenkamp C., Schroeder K.M., Ernst W., Pfnür H. Surf. Sci. 431:1999;146.
21. Ojamäe L., Pisani C. J. Phys. Chem. 109:1998;10984.
22. D. Ricci, G. Pacchioni, P.V. Shusko, A. Shluger, J. Chem. Phys. 117 (2002) 2844.
23. D. Ricci, Di Valentin C.G. Pacchioni, A. Shluger, P.V. Shusko, E. Giamello, submitted.
24. Chiesa M., Giamello E., Paganini M.C., Pacchioni G., Soave R., Murphy D.M., Sojka Z. J. Phys. Chem. 105:2001;497.
25. Giamello E., Murphy D.M., Garrone E., Zecchina A. Spectrochim. Acta A. 49:1993;1323.
26. Giamello E., Murphy D.M., Marchese L., Martra G., Zecchina A. J. Chem. Soc. Faraday Trans. 89:1993;3715.
27. Chiesa M., Giamello E., Paganini M.C., Sojka Z., Murphy D.M. J. Chem. Phys. 116:2002;4266.
28. Pinarello G., Pisani C., D'Ercole A., Chiesa M., Paganini M.C., Giamello E., Diwald O. Surf. Sci. 494:2001;95.
29. Wertz J.E., Orton J.W., Auzins P. Discuss Faraday Soc. 31:1961;140.
30. Nelson R.L., Tench A.J., Harmsworth B. Trans. Faraday Soc. 63:1967;1427.
31. Ito T., Watanabe M., Kogo K., Tokuda T. J. Phys. Chem. 124:1981;83.
32. Volkov A.I. J. Chem. Soc. Faraday Trans. I. 82:1986;815.
33. Diwald O., Sterrer M., Knötzinger E., Sushko P.V., Shluger A.L. J. Chem. Phys. 116:2002;1707.
34. Sterrer M., Diwald O., Knötzinger E. J. Phys. Chem. B. 104:2000;3601.
35. Knötzinger E., Sterrer M., Diwald O. J. Mol. Cat. A Chemical. 162:2000;83.
36. Knözinger E., Jacob K.-H., Singh S., Hofmann P. Surf. Sci. 290:1993;388.
37. Shusko P.V., Shluger A.L., Catlow C.R.A. Surf. Sci. 450:2000;153.
38. Shusko P.V., Gavartin J.L., Shluger A.L. J. Phys. Chem. B. 106:2002;2269.
39. Dick B.G., Overhauser A.W. Phys. Rev. 112:1958;90.
40. Stevens W., Bach H., Krauss J. J. Chem. Phys. 81:1984;6026.
41. M.J. Frisch et al., Gaussian 98, Gaussian Inc., Pittsburgh, PA, 1997.
42. Becke A.D.J. J. Chem. Phys. 98:1993;5648.
43. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
44. Dennis J.E., Sabel R. Numerical Methods for Unconstrained Optimization and Nonlinear Equations. 1983;Prentice-Hall, Englewood Cliffs, NJ.
45. Pacchioni G., Frigoli F., Ricci D., Weil J.A. Phys. Rev. B. 6305:2001;4102.
46. Krishnan R., Binkley J.S., Seeger R., Pople J.A. J. Chem. Phys. 72:1980;650.
47. Ferrari A.M., Soave R., D'Ercole A., Pisani C., Giamello E., Pacchioni G. Surf. Sci. 479:2001;83.
48. Weil J.A., Bolton J.R., Wertz J.E. Electron Paramagnetic Resonance. 1994;John Wiley & Sons, New York.
49. Brailsford J.R., Morton J.R., Vannotti L.E. J. Chem. Phys. 49:1968;2237.
50. Brailsford J.R., Morton J.R. J. Chem. Phys. 51:1969;4794.
51. Casida M.E. Seminario J.M. Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry. vol. 4:1996;Elsevier, Amsterdam.
52. Casida M.E., Jamorki C., Casida K.C., Salahub D.R. J. Chem. Phys. 108:1998;4439.
53. Stratmann R.E., Scuseria G., Frisch M. J. Chem. Phys. 109:1998;8218.
54. Görling A., Heinze H.H., Ruzankin S.P., Staufer M., Rösch N. J. Chem. Phys. 110:1999;2785.
55. Raghavachari K., Ricci D., Pacchioni G. J. Chem. Phys. 116:2002;825.
56. Pacchioni G., Ferrari A.M., Giamello E. Chem. Phys. Lett. 255:1996;58.
57. Halliburton L.E., Cowan D.L., Blake W.B.J., Wertz J.E. Phys. Rev. B. 8:1973;1610.
58. CRC Handbook of Chemistry and Physics. 74th ed. 1994;CRC Press, Boca Raton.
59. Chevreau H., De I., Moreira P.R., Silvi B., Illas F. J. Phys. Chem. 105:2001;3570.
60. Shih S.-K., Peyerimhoff S.D. Chem. Phys. 28:1978;299. and references therein.