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Lecture Egbert Zojer


07 September 2012 FWN-Building 5118.-157, Nijenborgh 4, 9747 AG, Groningen
Speaker: Prof. Dr. Egbert Zojer
Affiliation: Institute of Solid State Physics, Graz University of Technology
Title: Understanding the properties of metal-organic interfaces by quantum-mechanical modeling
Date: Fri Sep 7, 2012
Start: 11.00
Location: FWN-Building 5118.-157
Host: D.M. de Leeuw
Telephone: +31 50 363 4984


The absolutely crucial role of interfaces for applications like organic (opto)electronic devices is increasingly acknowledged. In the present contribution, quantum-mechanical simulations are used to gain an in-depth understanding of the electronic properties of such interfaces. The focus is on understanding the fundamental differences between covalently (typically thiolate-)bonded self-assembled monolayers and layers consisting of strong donors or acceptors that undergo a charge-transfer reaction with the substrate. The electronic properties of the former are often dominated by collective/cooperative effects that electronically decouple the various parts of the SAM and result in SAM-properties qualitative differing from those of the individual molecules. The properties of charge-transfer monolayers, on the other hand, are typically determined by Fermi-level pinning. The first part of the talk will focus on reviewing these fundamental aspects for a number of examples; subsequently, a number of deviations from the “conventional” behavior will be discussed.

Last modified:22 October 2012 2.30 p.m.