We present a combined experimental and theoretical study of the ultrathin film of Co-octaethylporphyrin (Co-OEP) molecules deposited on the Ag(110) surface. The morphological and electronic properties of this heterogeneous metallorganic interface were studied by means of scanning tunneling microscopy (STM), near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, ultraviolet photoemission spectroscopy (UPS), and density functional theory calculations (DFT). The long-range self-ordered single layer of Co-OEP was obtained by thermal desorption of the molecular multilayer. The single-layer molecules were arranged in a noncommensurate rectangular lattice aligned with the substrate high-symmetry directions. The combination of experimental techniques and numerical simulations indicated that in this configuration each molecular macrocycle is tilted with respect to the metal surface of about 15 degrees. The strong molecular interaction with the substrate leads to the electron transfer from the metal substrate to the molecule. The direct interaction with the substrate involves mostly the Co metal center, which modifies the valence state with respect to the free Co-OEP molecules due to the hybridization between Co states and Ag bands.

Structure and Molecule-Substrate Interaction in a Co-octaethyl Porphyrin Monolayer on the Ag(110) Surface / Fanetti, Mattia; Calzolari, Arrigo; Vilmercati, Paolo; Castellarin Cudia, Carla; Borghetti, Patrizia; Di Santo, Giovanni; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Vobornik, Ivana; Annese, Emilia; Bondino, Federica; Fabris, Stefano; Goldoni, Andrea. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 115:23(2011), pp. 11560-11568. [10.1021/jp2011233]

Structure and Molecule-Substrate Interaction in a Co-octaethyl Porphyrin Monolayer on the Ag(110) Surface

Fabris, Stefano;
2011

Abstract

We present a combined experimental and theoretical study of the ultrathin film of Co-octaethylporphyrin (Co-OEP) molecules deposited on the Ag(110) surface. The morphological and electronic properties of this heterogeneous metallorganic interface were studied by means of scanning tunneling microscopy (STM), near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, ultraviolet photoemission spectroscopy (UPS), and density functional theory calculations (DFT). The long-range self-ordered single layer of Co-OEP was obtained by thermal desorption of the molecular multilayer. The single-layer molecules were arranged in a noncommensurate rectangular lattice aligned with the substrate high-symmetry directions. The combination of experimental techniques and numerical simulations indicated that in this configuration each molecular macrocycle is tilted with respect to the metal surface of about 15 degrees. The strong molecular interaction with the substrate leads to the electron transfer from the metal substrate to the molecule. The direct interaction with the substrate involves mostly the Co metal center, which modifies the valence state with respect to the free Co-OEP molecules due to the hybridization between Co states and Ag bands.
115
23
11560
11568
Fanetti, Mattia; Calzolari, Arrigo; Vilmercati, Paolo; Castellarin Cudia, Carla; Borghetti, Patrizia; Di Santo, Giovanni; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Vobornik, Ivana; Annese, Emilia; Bondino, Federica; Fabris, Stefano; Goldoni, Andrea
File in questo prodotto:
Non ci sono file associati a questo prodotto.

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: http://hdl.handle.net/20.500.11767/33053
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 18
  • ???jsp.display-item.citation.isi??? 16
social impact