Work function pinning at metal-organic interfaces

P. C. Rusu, G. Giovannetti, C. Weijtens, R. Coehoorn, G. Brocks

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

41 Citaten (Scopus)


Substantial dipoles are formed at interfaces between metals and organic molecules, even in case of relatively weak interactions. We monitor interface dipoles by first-principles calculations of work function changes caused by adsorption of perylene and 3,4,9,10-perylene-tetra-carboxylic-dianhydride monolayers. These changes are the result of two competing effects. Pauli repulsion pushes electrons into the surface, which decreases the work function. If the metal work function is sufficiently low, electrons are donated back from the surface to the molecule. In this regime the work function is effectively determined by pinning of the Fermi level at a molecular energy level.

Originele taal-2Engels
Pagina's (van-tot)9974-9977
Aantal pagina's4
TijdschriftJournal of Physical Chemistry C
Nummer van het tijdschrift23
StatusGepubliceerd - 11 jun 2009


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