English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
Add to Basket
  Local TagsRelease HistoryDetailsSummary

Released
Journal Article

Space-Charge Transfer in Hybrid Inorganic-Organic Systems

MPS-Authors
/persons/resource/persons22264

Xu,  Yong
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21637

Hofmann,  Oliver T.
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22010

Rinke,  Patrick
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22064

Scheffler,  Matthias
Theory, Fritz Haber Institute, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)

e226802.pdf
(Publisher version), 620KB

Supplementary Material (public)
There is no public supplementary material available
Citation

Xu, Y., Hofmann, O. T., Schlesinger, R., Winkler, S., Frisch, J., Niederhausen, J., et al. (2013). Space-Charge Transfer in Hybrid Inorganic-Organic Systems. Physical Review Letters, 111(22): 226802. doi:10.1103/PhysRevLett.111.226802.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-B289-4
Abstract
We discuss density functional theory calculations of hybrid inorganic/organic systems (HIOS) 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 (F4TCNQ) on the ZnO(0001¯) 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 HIOS and important for device design.