A computational study of the adsorption of small Ag and Au nanoclusters on graphite

Journal of Physical Chemistry A

Volumn 111, Issue 49, 2007, Pages 12317-12326

  Jalkanen, Jukka Pekka ^a,c   Halonen, Marjo ^a   Fernández Torre, Delia ^a   Laasonen, Kari ^b   Halonen, Lauri ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF OULU   (Finland)

^c FINNISH METEOROLOGICAL INSTITUTE   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BOUNDARY CONDITIONS; COMPUTATION THEORY; GOLD; GRAPHITE; NANOSTRUCTURED MATERIALS;

GRAPHITE SURFACE; SINGLE CARBON SHEET;

SILVER;

EID: 38049108191     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074969m     Document Type: Article

References (35)

1. Morse, M. D. Chem. Rev. 1986, 86, 1049.
2. Häkkinen, H.; Yoon, B.; Landman, U.; Li, X.; Zhai, H. J.; Wang, L. S. J. Phys. Chem. A 2003, 107, 6168.
3. Wang, J.; Wang, G.; Zhao, J. Phys. Rev. B 2002, 66, 035418.
4. Fournier, R. J. Chem. Phys. 2001, 115, 2165.
5. Oviedo, J.; Palmer, R. E. J. Chem. Phys. 2002, 117, 9548.
6. Wang, G. M.; BelBruno, J. J.; Kenny, S. D.; Smith, R. Phys. Rev. B 2004, 69, 195412.
7. Wang, G. M.; BeiBruno, J. J.; Kenny, S. D.; Smith, R. Surf. Sci. 2003, 541, 91.
8. Smith, R.; Nock. C.; Kenny, S. D.; Belbruno, J. J.; Di Vece, M.; Palomba, S.; Palmer, R. E. Phys. Rev. B 2006, 73, 125429.
9. Duffy, D. M.; Blackman, J. A. Surf. Sci. 1998, 415, L1016.
10. Jensen, P.; Blase, X.; Ordejón, P. Surf. Sci. 2004, 564, 173.
11. Akola, J.; Häkkinen, H. Phys. Rev. B 2006, 74, 165404.
12. Rydberg, H.; Lundqvist, B. I.; Langreth, D. C.; Dion, M. Phys. Rev. B 2000, 62, 6997.
13. Rydberg, H.; Dion, M.; Jacobson, N.; Schröder, E.; Hyldgaard, P.; Simak, S. I.; Langreth, D. C.; Lundqvist, B. E. Phys. Rev. Lett. 2003, 91, 126402.
14. Andersson, Y.; Langreth, D. C.; Lunqvist, B. I. Phys. Rev. Lett. 1996, 76, 102.
15. Hasegawa, M.; Nishidate, K. Phys. Rev. B 2004, 70, 205431.
16. Pisani, C.; Busso, M.; Capecchi, G.; Casassa, S.; Dovesi, R.; Maschio, L.; Zicovich-Wilson, C.; Schütz, M. J. Chem. Phys. 2005, 122, 094113.
17. Elstner, M.; Hobza, P.; Frauenheim, T.; Suhai, S.; Kaxiras. E. J. Chem. Phys. 2001, 114, 5149.
18. Grimme, S. J. Comp. Chem. 2006, 27, 1787.
19. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
20. Kresse, G.; Joubert, J. Phys. Rev. B 1999, 59, 1758.
21. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
22. Liu, Z. F.; Yim, W. L.; Tse, J. S.; Hafner, J. Eur. Phys. J. D 2000, 10, 105.
23. Williams, R. W.; Malhotra, D. Chem. Phys. 2006, 327, 54.
24. Halgren, T. A. J. Am. Chem. Soc. 1992, 114, 7827.
25. Slater, J. C.; Kirkwood, J. G. Phys. Rev. 1931, 37, 682.
26. Amar, J. G. Phys. Rev. B 2003, 67, 165425.
27. Surong, Q.-M.; Zhao, Y.; Jing, X.; Li, X.; Su, W. Int. J. Quantum Chem. 2004, 100, 293.
28. Hasegawa, M.; Nishidate, D. Phys. Rev. B 2004, 70, 205431.
29. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure 4. : Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
30. Ganz, E.; Sattler, K.; Clarke, J. Surf. Sci. 1989, 219, 33.
31. Miller, K. J. J. Am. Chem. Soc. 1990, 112, 8533.
32. Neogrády, P.; Kellö, V.; Urban, M.; Sadlej, A. J. Int. J. Quantum Chem. 1996, 63, 557.
33. Henderson, M.; Curtis, L. J.; Matulioniene, R.; Ellis, D. G.; Theodosiou, C. E. Phys. Rev. A 1997, 56, 1872.
34. http://web.mit.edu/hg_v1.2.1/distrib/mercury_1_2_1/docs/mercury/ PortableHTML/mercurydocn144.html.
35. Persson, B. N. J.; Zaremba, E. Phys. Rev. B 1984, 30, 5669.