Space-charge transfer in hybrid inorganic-organic systems.

نویسندگان

  • Yong Xu
  • Oliver T Hofmann
  • Raphael Schlesinger
  • Stefanie Winkler
  • Johannes Frisch
  • Jens Niederhausen
  • Antje Vollmer
  • Sylke Blumstengel
  • Fritz Henneberger
  • Norbert Koch
  • Patrick Rinke
  • Matthias Scheffler
چکیده

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.

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عنوان ژورنال:
  • Physical review letters

دوره 111 22  شماره 

صفحات  -

تاریخ انتشار 2013