Strong Bonding of single C60 molecules to (1x2)-Pt (110): an STM/DFT Investigation (Articolo in rivista)

Type
Label
  • Strong Bonding of single C60 molecules to (1x2)-Pt (110): an STM/DFT Investigation (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp071783e (literal)
Alternative label
  • M. Casarin, D. Forrer, T. Orzali, M. Petukhov, M. Sambi, E. Tondello, A. Vittadini (2007)
    Strong Bonding of single C60 molecules to (1x2)-Pt (110): an STM/DFT Investigation
    in Journal of physical chemistry. C
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • M. Casarin, D. Forrer, T. Orzali, M. Petukhov, M. Sambi, E. Tondello, A. Vittadini (literal)
Pagina inizio
  • 9365 (literal)
Pagina fine
  • 9373 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 26 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • [M. Casarin, D. Forrer, T. Orzali, M. Petukhov, M. Sambi, E. Tondello] Univ Padua, Consorzio INSTM, Dipartimento Sci Chim, I-35131 Padua, Italy; [Vittadini, Andrea] ISTM CNR, I-35131 Padua, Italy (literal)
Titolo
  • Strong Bonding of single C60 molecules to (1x2)-Pt (110): an STM/DFT Investigation (literal)
Abstract
  • The interaction of single C-60 molecules with the (1 x 2)-Pt(110) surface has been studied by scanning tunneling microscopy and density functional theory (DFT) calculations on slab models. Molecules are observed to be frozen at room temperature and are found to be almost exclusively in the same configuration. Extensive DFT calculations show that this configuration is the global energy minimum, suggesting that adsorbed molecules have enough rototranslational freedom to escape from the numerous local minima. The adsorption energy (3.81 eV) is the strongest ever found for C-60, and it is roughly proportional to the number of the Pt and C atoms at contact distance. Analysis of DFT results shows that the surface-adsorbate interaction is covalent in nature. A minority fraction of C-60 molecules appear to be adsorbed on surface defects. A careful investigation of their registry and height with respect to the regularly adsorbed units leads to an indirect structural characterization of the nanopits which act as their adsorption sites. (literal)
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