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Title:Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface
Authors:ID Betti, Maria Grazia (Author)
ID Gargiani, Pierluigi (Author)
ID Mariani, Carlo (Author)
ID Turchini, Stefano (Author)
ID Zema, Nicola (Author)
ID Fortuna, Sara (Author)
ID Calzolari, Arrigo (Author)
ID Fabris, Stefano (Author)
Files: This document has no files that are freely available to the public. This document may have a physical copy in the library of the organization, check the status via COBISS. Link is opened in a new window
Language:English
Work type:Not categorized
Typology:1.01 - Original Scientific Article
Organization:UNG - University of Nova Gorica
Abstract: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.
Keywords:phthalocyanine, Au(110), gold, surface, DFT, density functional theory, calculation, simulation
Year of publishing:2012
Number of pages:8657-8663
Numbering:116, 15
PID:20.500.12556/RUNG-2667 New window
COBISS.SI-ID:4542203 New window
DOI:10.1021/jp300663t New window
NUK URN:URN:SI:UNG:REP:MHFUJUH5
Publication date in RUNG:13.10.2016
Views:5063
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Record is a part of a journal

Title:Journal of Physical Chemistry C
Shortened title:J. Phys. Chem. C
Publisher:American Chemical Society
Year of publishing:2012
ISSN:1932-7447

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