Dresden 2011 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 36: Poster Session II (Metals; Nanostructures at surfaces; Surface or interface magnetism; Spin-Orbit Interaction at Surfaces; Electron and spin dynamics; Surface dynamics; Methods; Theory and computation of electronic structure)

O 36.30: Poster

Dienstag, 15. März 2011, 18:30–22:00, P4

Investigation of Interface Dipole Formation of Dithiocarbamate Molecules on Gold by Density Functional Theory and Photoelectron Spectroscopy — •Tobias Schäfer¹, Philip Schulz¹, Dominik Meyer¹, Riccardo Mazzarello², and Matthias Wuttig¹ — ¹I. Physikalisches Institut (IA), RWTH Aachen University — ²Institut für Theoretische Physik C, RWTH Aachen University

One of the main challenges in constructing organic optoelectronic devices is to control the charge carrier injection between the active organic material and metal contact electrodes. The insertion of a self assembled monolayer (SAM) between the organic/inorganic interface depicts an advantageous way to align the metal work function to the frontier molecular orbitals of adjacent organic species.

In this study Dithiocarbamate terminated molecules (DTC) on gold have been investigated as a potential SAM building block. Photoelectron Spectroscopy reveals a strong lowering of the metal work function upon adsorption of DTC molecules. Hence, calculations employing density functional theory (DFT) have been conducted in order to correlate this effect to the formation of a layer of permanent as well as induced dipoles.