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@ARTICLE{Kowalzik:19744,
      author       = {Kowalzik, P. and Atodiresei, N. and Gingras, M. and Caciuc,
                      V. and Schnaebele, N. and Raimundo, J.-M. and Blügel, S.
                      and Waser, R. and Karthäuser, S.},
      title        = {{A}rylthio-substituted coronenes as tailored building
                      blocks for molecular electronics},
      journal      = {Physical Chemistry Chemical Physics},
      volume       = {14},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PreJuSER-19744},
      pages        = {1635 - 1641},
      year         = {2012},
      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.},
      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.},
      keywords     = {J (WoSType)},
      cin          = {PGI-1 / IAS-1 / PGI-7},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-1-20110106 / I:(DE-Juel1)IAS-1-20090406 /
                      I:(DE-Juel1)PGI-7-20110106},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
                      Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:22193370},
      UT           = {WOS:000299113000012},
      doi          = {10.1039/c2cp23241c},
      url          = {https://juser.fz-juelich.de/record/19744},
}