Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface
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Author(s)
Romaner, Lorenz
Heimel, Georg
Gerlach, Alexander
Schreiber, Frank
Johnson, Robert L.
Zegenhagen, Joerg
Duhm, Steffen
Koch, Norbert
Zojer, Egbert
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Abstract
Interface energetics are of fundamental importance in organic and molecular electronics. By combining complementary experimental techniques and first-principles calculations, we resolve the complex interplay among several interfacial phenomena that collectively determine the electronic structure of the strong electron acceptor tetrafluoro-tetracyanoquinodimethane chemisorbed on copper. The combination of adsorption-induced geometric distortion of the molecules, metal-to-molecule charge transfer, and molecule-to-metal back transfer leads to a net increase of the metal work function.
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2007-12
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