title: Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface.
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.
authors.affiliation: Institut für Festkörperphysik, Technische Universität Graz, A-8010 Graz, Austria.
authors.forename: Lorenz
authors.initials: L
authors.lastname: Romaner
authors.forename: Georg
authors.initials: G
authors.lastname: Heimel
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Brédas
authors.forename: Alexander
authors.initials: A
authors.lastname: Gerlach
authors.forename: Frank
authors.initials: F
authors.lastname: Schreiber
authors.forename: Robert L
authors.initials: RL
authors.lastname: Johnson
authors.forename: Jörg
authors.initials: J
authors.lastname: Zegenhagen
authors.forename: Steffen
authors.initials: S
authors.lastname: Duhm
authors.forename: Norbert
authors.initials: N
authors.lastname: Koch
authors.forename: Egbert
authors.initials: E
authors.lastname: Zojer