Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT + U approach

Chemical Physics Letters

Volumn 465, Issue 1-3, 2008, Pages 106-109

  Migani, Annapaola ^a   Loschen, Christoph ^b   Illas, Francesc ^b   Neyman, Konstantin M ^b,c  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CERIUM COMPOUNDS; NANOPARTICLES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES;

ADSORBED CO; ADSORPTION PARAMETERS; CATALYTIC PERFORMANCES; CERIA NANOPARTICLES; COMPUTATIONAL LEVELS; PROBE MOLECULES; SUPPORTED METALS; SURFACE SITES;

CARBON MONOXIDE;

EID: 54049153525     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.09.060     Document Type: Article

References (37)

1. Trovarelli A. Catal. Rev.-Sci. Eng. 38 (1996) 439
2. Kaspar J., Fornasiero P., and Graziani M. Catal. Today 50 (1999) 285
3. Carrettin S., Concepción P., Corma A., López Nieto J.M., and Puntes V.F. Angew. Chem. Int. Ed. 43 (2004) 2538
4. Abad A., Corma A., and Garcia H. Chem. Eur. J. 14 (2008) 212
5. Baletto F., and Ferrando R. Rev. Mod. Phys. 77 (2005) 371
6. Viñes F., Illas F., and Neyman K.M. J. Phys. Chem. A 112 (2008) 8911
7. Yudanov I.V., Sahnoun R., Neyman K.M., and Rösch N. J. Chem. Phys. 117 (2002) 9887
8. Neyman K.M., and Illas F. Catal. Today 105 (2005) 2
9. Yudanov I.V., et al. J. Phys. Chem. B 107 (2003) 255
10. Yudanov I.V., Neyman K.M., and Rösch N. Phys. Chem. Chem. Phys. 6 (2004) 116
11. Neyman K.M., Inntam C., Gordienko A.B., and Yudanov I.V. N. Rösch. J. Chem. Phys. 122 (2005) 174705
12. Yudanov I.V., Neyman K.M., and Rösch N. Phys. Chem. Chem. Phys. 8 (2006) 2396
13. Bäumer M., Libuda J., Neyman K.M., Rösch N., Rupprechter G., and Freund H.-J. Phys. Chem. Chem. Phys. 9 (2007) 3541
14. Viñes F., Illas F., and Neyman K.M. Angew Chemie Int. Ed. 46 (2007) 7094
15. Yudanov I.V., Matveev A.V., Neyman K.M., and Rösch N. J. Am. Chem. Soc. 130 (2008) 9342
16. Neyman K.M., Vayssilov G.N., and Rösch N. J. Organomet. Chem. 689 (2004) 4384
17. Neyman K.M., Sahnoun R., Inntam C., Hengrasmee S., and Rösch N. J. Phys. Chem. B 108 (2004) 5424
18. Neyman K.M., et al. Phys. Chem. Chem. Phys. 9 (2007) 3470
19. Loschen C., Bromley S.T., Neyman K.M., and Illas F. J. Phys. Chem. C 111 (2007) 10142
20. Loschen C., Migani A., Bromley S.T., Illas F., and Neyman K.M. Phys. Chem. Chem. Phys. 10 (2008) 5730
21. Nolan M., Parker S.C., and Watson G.W. Surf. Sci. Lett. 600 (2006) L175
22. Nolan M., and Watson G.W. J. Phys. Chem. B 110 (2006) 16600
23. Huang M., and Fabris S. J. Phys. Chem. C 112 (2008) 8643
24. Müller C., Herschend B., Hermansson K., and Paulus B. J. Chem. Phys. 128 (2008) 214701
25. Loschen C., Carrasco J., Neyman K.M., and Illas F. Phys. Rev. B 75 (2007) 035115
26. Ganduglia-Pirovano M.V., Hofmann A., and Sauer J. Surf. Sci. Rep. 62 (2007) 219
27. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
28. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
29. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
30. Anisimov V.I., Aryasetiawan F., and Lichtenstein A.I. J. Phys. - Cond. Mat. 9 (1997) 767
31. Dudarev S.L., Botton G.A., Savrasov S.Y., Humphreys C.J., and Sutton A.P. Phys. Rev. B 57 (1998) 1505
32. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
33. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
34. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 48 (1993) 4978
35. Goniakowski J., Finocchi F., and Noguera C. Rep. Prog. Phys. 71 (2008) 016501
36. Neyman K.M., and Rösch N. Ber. Bunsenges. Phys. Chem. 96 (1992) 1711
37. Illas F., et al. Chem. Phys. Lett. 306 (1999) 202