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