Journal article
Modelling energy level alignment at organic interfaces and density functional theory
Nano-Bio Integrated Systems Group, Biomedical Micro Systems Section, Department of Micro- and Nanotechnology, Technical University of Denmark1
Biomedical Micro Systems Section, Department of Micro- and Nanotechnology, Technical University of Denmark2
Department of Micro- and Nanotechnology, Technical University of Denmark3
A review of our theoretical understanding of the band alignment at organic interfaces is presented with particular emphasis on the metal/organic (MO) case. The unified IDIS (induced density of interface states) and the ICT (integer charge transfer) models are reviewed and shown to describe qualitatively and semiquantitatively the barrier height formation at those interfaces.
The IDIS model, governed by the organic CNL (charge neutrality level) and the interface screening includes: (a) charge transfer across the interface; (b) the "pillow'' (or Pauli) effect associated with the compression of the metal wavefunction tails; and
Language: | English |
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Publisher: | The Royal Society of Chemistry |
Year: | 2009 |
Pages: | 8658-8675 |
ISSN: | 14639084 and 14639076 |
Types: | Journal article |
DOI: | 10.1039/b902492c |