title: Space-charge transfer in hybrid inorganic-organic systems.
abstract: We discuss density functional theory calculations of hybrid inorganic-organic systems that explicitly include the global effects of doping (i.e., position of the Fermi level) and the formation of a space-charge layer. For the example of tetrafluoro-tetracyanoquinodimethane on the ZnO(0001[over ¯]) surface we show that the adsorption energy and electron transfer depend strongly on the ZnO doping. The associated work function changes are large, for which the formation of space-charge layers is the main driving force. The prominent doping effects are expected to be quite general for charge-transfer interfaces in hybrid inorganic-organic systems and important for device design.
authors: Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany.
authors: Yong
authors: Y
authors: Xu
authors: Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany.
authors: Oliver T
authors: OT
authors: Hofmann
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany.
authors: Raphael
authors: R
authors: Schlesinger
authors: Helmholtz-Zentrum Berlin für Materialien und Energie GmbH-BESSY II, 12489 Berlin, Germany.
authors: Stefanie
authors: S
authors: Winkler
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany.
authors: Johannes
authors: J
authors: Frisch
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany.
authors: Jens
authors: J
authors: Niederhausen
authors: Helmholtz-Zentrum Berlin für Materialien und Energie GmbH-BESSY II, 12489 Berlin, Germany.
authors: Antje
authors: A
authors: Vollmer
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany.
authors: Sylke
authors: S
authors: Blumstengel
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany.
authors: Fritz
authors: F
authors: Henneberger
authors: Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany and Helmholtz-Zentrum Berlin für Materialien und Energie GmbH-BESSY II, 12489 Berlin, Germany.
authors: Norbert
authors: N
authors: Koch
authors: Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany.
authors: Patrick
authors: P
authors: Rinke
authors: Fritz-Haber-Institut der Max-Planck-Gesellschaft, 14195 Berlin, Germany.
authors: Matthias
authors: M
authors: Scheffler