Maria Grazia Betti (Avtor), Pierluigi Gargiani (Avtor), Carlo Mariani (Avtor), Stefano Turchini (Avtor), Nicola Zema (Avtor), Sara Fortuna (Avtor), Arrigo Calzolari (Avtor), Stefano Fabris (Avtor)

Povzetek

Iron–phthalocyanine (FePc) molecules deposited on the Au(110) surface self-organize in ordered chains driven by the reconstructed Au channels. The interaction process induces a rehybridization of the electronic states localized on the central metal atom, breaking the 4-fold symmetry of the molecular orbitals of the FePc molecules. The molecular adsorption is controlled by a symmetry-determined mixing between the electronic states of the Fe metal center and of the Au substrate, as deduced by photoemission and absorption spectroscopy exploiting light polarization. DFT calculations rationalize this mixing of the Fe and Au states on the basis of symmetry arguments. The calculated electronic structure reproduces the main experimental spectral features, which are associated to a distorted molecular structure displaying a trigonal bipyramidal geometry of the ligands around the metal center.

Ključne besede

phthalocyanine;Au(110);gold;surface;density functional theory;calculation;simulation;

Podatki

Jezik: Angleški jezik
Leto izida:
Tipologija: 1.01 - Izvirni znanstveni članek
Organizacija: UNG - Univerza v Novi Gorici
UDK: 54
COBISS: 4542203 Povezava se bo odprla v novem oknu
ISSN: 1932-7447
Št. ogledov: 4133
Št. prenosov: 0
Ocena: 0 (0 glasov)
Metapodatki: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Ostali podatki

URN: URN:SI:UNG
Vrsta dela (COBISS): Delo ni kategorizirano
Strani: str. 8657-8663
Letnik: ǂVol. ǂ116
Zvezek: ǂno. ǂ15
Čas izdaje: 2012
DOI: 10.1021/jp300663t
ID: 9175961