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@PHDTHESIS{Schnauer:283059,
      author       = {Schönauer, Kathrin Maria},
      title        = {{S}tructural and electronic investigations on homo- and
                      hetero-organic layers involving {C}u{P}c on silver single
                      crystal surfaces},
      volume       = {116},
      school       = {RWTH Aachen},
      type         = {Dr.},
      address      = {Jülich},
      publisher    = {Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag},
      reportid     = {FZJ-2016-01741},
      isbn         = {978-3-95806-112-5},
      series       = {Schriften des Forschungszentrums Jülich. Reihe
                      Schlüsseltechnologien / Key Technologies},
      pages        = {X, 148 S.},
      year         = {2015},
      note         = {RWTH Aachen, Diss., 2015},
      abstract     = {In this work we investigate variations of a homo-molecular
                      layer of CuPc adsorbed on the Ag(111) surface, which is a
                      well known example in research on organic electronics where
                      the structural and electronic properties at the
                      metal-organic interface are of interest. Three modifications
                      of the mentioned system are realized by addition of a second
                      layer, exchange of the substrate, and addition of a second
                      type of organic molecules. Measurements on the lateral
                      structure are performed by STM and LEED. For experiments on
                      the electronic structure, STM-based differential conductance
                      spectroscopy and angle-resolved PES are applied. For a
                      second layer of CuPc on top of the first layer of CuPc on
                      Ag(111) we observe a weaker interaction between the two
                      molecular layers than between the substrate and the first
                      molecular layer. This allows molecules in the second layer
                      to adsorb in an inclined configuration in contrast to the
                      flat lying geometry of molecules in the first layer. The
                      HOMO of CuPc shifts towards larger binding energies with
                      increasing coverage. The (former) LUMO, which in the first
                      layer is weakly occupied by charge donation from the silver
                      substrate, is unoccupied in the second layer because of a
                      significantly weaker interaction with the underlying
                      material. Experiments on a dense, closed layer of CuPc
                      molecules on the Ag(110) surface reveal a stronger effect of
                      this substrate on the layer formation than the Ag(111)
                      surface. The stronger interacting substrate of lower
                      symmetry dominates the formation of the lateral molecular
                      arrangement interspersed by dislocation lines where the
                      intermolecular interaction breaks through. The initially
                      4-fold symmetry of the molecules is reduced to2-fold due to
                      a combination of geometric and electronic effects. The part
                      of the molecule that is is aligned with a more acute angle
                      to the Ag[001] direction is slightly bent down, interacting
                      stronger with the substrate and receiving charge donated by
                      the silver. By this asymmetry the original degeneracy of the
                      two parts of the LUMO is lifted. Laterally mixed
                      hetero-organic layers of CuPc and PTCDA on Ag(110) show the
                      stronger influence of the substrate on the formation of
                      ordered structures compared to mixed ordered layers on
                      Ag(111). A tendency to form complex packing motifs is
                      observed and we investigate two different structures that
                      are described by large unit cells comprising 5 and 9
                      molecules, respectively. Measurements on the local
                      electronic structure are dominated by signals from PTCDA
                      molecules and we observe that the PTCDA LUMO is occupied to
                      at least the same degree as it is in a homo-molecular PTCDA
                      layer. Th CuPc LUMO is unoccupied indicating a
                      molecule-molecule interaction with an unequal charge
                      distribution for the two types of molecules.},
      cin          = {PGI-3},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)11},
      urn          = {urn:nbn:de:0001-2016031801},
      url          = {https://juser.fz-juelich.de/record/283059},
}