Berlin 2015 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 55: Inorganic/Organic Interfaces: Electronic Properties II
O 55.10: Vortrag
Mittwoch, 18. März 2015, 17:30–17:45, HE 101
Effects of embedded dipole in alkanethiolate self-assembled monolayers — Swen Schuster1, Nichole Sullivan2, Orlando Cabarcos2, Iris Hehn3, Jean-François Morin4, Egbert Zojer3, David L. Allara2, and •Michael Zharnikov1 — 1Angewandte Physikalische Chemie, Universität Heidelberg, 69120 Heidelberg, Germany — 2Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA — 3Institute of Solid State Physics, Graz University of Technology, 8010 Graz, Austria — 4Département de chimie, Faculté des sciences et de genie, Université Laval, Québec QC G1V 0A6, Canada
Self-assembled monolayers (SAMs) bonded to metal electrodes are capable to improve charge-carrier injection across the metal-organic interface. This is usually achieved by use of the terminal dipolar groups (terminal dipole) comprising the outer interface of SAMs. But such an architecture affects the growth mode of an organic semiconductor (in the standard device configuration) entangling it with the dipole control. In contrast, for the molecules with an embedded dipolar element, the dipole control and the chemistry at the SAM-ambience interface are decoupled. In this context, we studied a series of SAMs prepared on Au{111} from the mid-chain ester functionalized alkanethiols. The presence of the ester moiety leads to interesting electrostatic effects in photoemission and allows to modify the work function of the substrate in a certain range. The results are rationalized with a help of theoretical simulations, involving a combination of DFT and molecular dynamics methods.