Regensburg 2013 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 66: Oxide Surfaces II

O 66.8: Vortrag

Donnerstag, 14. März 2013, 12:15–12:30, H42

Stability of self-assembled organic monolayers on ZnO — •Philipp Herrmann and Georg Heimel — Institut für Physik, Humboldt Universität zu Berlin, Germany

Its wide bandgap and natural abundance make ZnO a promising material for optoelectronic devices. Particulary tempting is the use of ZnO in conjunction with organic semiconductors, but this requires detailed information on the interfaces in such hybrid systems. Given the complex phase diagram of ZnO surfaces, reliable means to control the interfacial properties are needed for real applications.

We therefore explore the functionalization of ZnO surfaces with self-assembled monolayers (SAMs) of covalently attached organic molecules. The stability of these SAMs against water and oxygen is investigated by first-principles thermodynamics based on periodic density functional theory calculations.

Once an effective docking chemistry is found, these SAM molecules can be chemically modified with dipolar docking groups to control the alignment between the electronic levels of ZnO and a subsequently deposited organic semiconductor.