TY  - JOUR
AU  - Kowalzik, P.
AU  - Atodiresei, N.
AU  - Gingras, M.
AU  - Caciuc, V.
AU  - Schnaebele, N.
AU  - Raimundo, J.-M.
AU  - Blügel, S.
AU  - Waser, R.
AU  - Karthäuser, S.
TI  - Arylthio-substituted coronenes as tailored building blocks for molecular electronics
JO  - Physical Chemistry Chemical Physics
VL  - 14
SN  - 1463-9076
CY  - Cambridge
PB  - RSC Publ.
M1  - PreJuSER-19744
SP  - 1635 - 1641
PY  - 2012
N1  - 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.
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:22193370
UR  - <Go to ISI:>//WOS:000299113000012
DO  - DOI:10.1039/c2cp23241c
UR  - https://juser.fz-juelich.de/record/19744
ER  -