Journal Article

PreJuSER-19744

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Arylthio-substituted coronenes as tailored building blocks for molecular electronics

Kowalzik, P.FZJ* ; Atodiresei, N.FZJ* ; Gingras, M. ; Caciuc, V.FZJ* ; Schnaebele, N. ; Raimundo, J.-M. ; Blügel, S.FZJ* ; Waser, R.FZJ* ; Karthäuser, S.FZJ*

2012
RSC Publ. Cambridge

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Please use a persistent id in citations: http://hdl.handle.net/2128/7399  doi:10.1039/C2CP23241C

Abstract: The electron transport through molecules in molecular devices is typically influenced by the nature of the interfaces with the contacting electrodes and by the interactions between neighbouring molecules. It is a major goal of molecular electronics to adjust the electronic function of a molecular device by tailoring the intrinsic molecular properties and the interfacial and intermolecular interactions. Here, we report on the tunability of the electronic properties of coronene derivatives, namely dodecakis(arylthio)coronenes (DATCs), which are found to exhibit a three-dimensional aromatic system. Scanning tunnelling microscopy (STM), spectroscopy (STS) and simulations based on the density functional theory (DFT) are employed to characterize the structural and electronic properties of these molecules deposited on Au(111) surfaces. It is shown that modifications of the peripheral aryl-groups allow us to specifically affect the self-assembly and the charge transport characteristics of the molecules. Molecular assemblies like supramolecular wires with highly delocalized orbitals and single molecules with molecular "quantum dot" characteristics are obtained in this way.

Keyword(s): J

Note: M.G. acknowledges the French National Center for Scientific Research (CNRS), Aix-Marseille II University and the University of Nice-Sophia Antipolis. The computations were performed under the auspices of the VSR at the computer JUROPA and the Gauss Centre for Supercomputing at the high-performance computer JUGENE operated by the Julich Supercomputer Centre at the Forschungszentrum Julich.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (PGI-1)
2. Quanten-Theorie der Materialien (IAS-1)
3. Elektronische Materialien (PGI-7)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2012

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Database coverage:
; ; Allianz-Lizenz / DFG ; Current Contents - Social and Behavioral Sciences ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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