Work function pinning at metal-organic interfaces

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

Research output: Contribution to journalArticleAcademicpeer-review

40 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)9974-9977
Number of pages4
JournalJournal of Physical Chemistry C
Volume113
Issue number23
DOIs
Publication statusPublished - 11 Jun 2009

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Metals
Perylene
metals
molecular energy levels
dipoles
Molecules
Electrons
Fermi level
Electron energy levels
monitors
molecules
Monolayers
electrons
Adsorption
adsorption

Cite this

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Work function pinning at metal-organic interfaces. / Rusu, P. C.; Giovannetti, G.; Weijtens, C.; Coehoorn, R.; Brocks, G.

In: Journal of Physical Chemistry C, Vol. 113, No. 23, 11.06.2009, p. 9974-9977.

Research output: Contribution to journalArticleAcademicpeer-review

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