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@ARTICLE{Kleimann:201043,
      author       = {Kleimann, Christoph and Stadtmüller, Benjamin and
                      Schröder, Sonja and Kumpf, Christian},
      title        = {{E}lectrostatic {I}nteraction and {C}ommensurate {R}egistry
                      at the {H}eteromolecular {F} $_{16}$ {C}u{P}c–{C}u{P}c
                      {I}nterface},
      journal      = {The journal of physical chemistry / C},
      volume       = {118},
      number       = {3},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2015-03353},
      pages        = {1652 - 1660},
      year         = {2014},
      abstract     = {Tailoring the properties of molecular thin films and
                      interfaces will have decisive influence on the success of
                      future organic electronic devices. This is equally true for
                      metal–organic and hetero–organic contacts as they occur,
                      for example, in donor–acceptor systems. Here, we report on
                      the structure formation and interaction across such a
                      heteromolecular interface. It is formed by monolayers of
                      F16CuPc and CuPc stacked on a Ag(111) surface. We
                      investigated the lateral and vertical structure using
                      spot-profile analysis low energy electron diffraction and
                      normal incidence X-ray standing waves, and performed pair
                      potential calculations to understand the driving forces for
                      the structure formation. Most surprisingly, for one phase we
                      found a commensurate registry between the two organic
                      layers, usually a sign for a strong (chemisorptive)
                      interaction often involving metallic states of the surface.
                      However, because the organic bilayer is not commensurate
                      with the underlying Ag substrate in our case, the dominating
                      factor must be the intermolecular interaction. Pair
                      potential calculations suggest a site-specific adsorption
                      that leads to a commensurate registry at the heteromolecular
                      interface. The adsorbate system was further characterized by
                      measuring adsorption heights, indicating flat-lying
                      molecules and a CuPc–F16CuPc layer spacing of 3.06 Å.},
      cin          = {PGI-3 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-3-20110106 / $I:(DE-82)080009_20140620$},
      pnm          = {422 - Spin-based and quantum information (POF2-422)},
      pid          = {G:(DE-HGF)POF2-422},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000330252600028},
      doi          = {10.1021/jp411289j},
      url          = {https://juser.fz-juelich.de/record/201043},
}