We have studied the interaction of perylene, a prototypical organic molecule, on the TiO2(110)-(1 x 1) surface at different surface coverages by an adequate combination of ultrahigh vacuum STM and UPS techniques, together with accurate many-body corrected ab initio calculations. We show that the molecular coupling and adsorption configuration strongly depend on the coverage. At the submonolayer coverage, the interaction is dominated by the van der Waals substrate attraction, which keeps the molecules in the troughs between adjacent oxygen rows. At this low-coverage regime no additional interaction is detected among the molecules, which rather behave like a 2D gas. When the coverage approaches the saturation of the first layer, a side-to-side molecular attraction sets in, which is shown to be mediated by a lateral intermolecular hybridization.

Densely packed perylene layers on the rutile TiO2(110)-(1 × 1) surface

Lanzilotto, Valeria;
2015-01-01

Abstract

We have studied the interaction of perylene, a prototypical organic molecule, on the TiO2(110)-(1 x 1) surface at different surface coverages by an adequate combination of ultrahigh vacuum STM and UPS techniques, together with accurate many-body corrected ab initio calculations. We show that the molecular coupling and adsorption configuration strongly depend on the coverage. At the submonolayer coverage, the interaction is dominated by the van der Waals substrate attraction, which keeps the molecules in the troughs between adjacent oxygen rows. At this low-coverage regime no additional interaction is detected among the molecules, which rather behave like a 2D gas. When the coverage approaches the saturation of the first layer, a side-to-side molecular attraction sets in, which is shown to be mediated by a lateral intermolecular hybridization.
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/3032130
 Avviso

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 11
social impact