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@ARTICLE{Wei:837319,
      author       = {Weiß, Simon and Krieger, Ina and Heepenstrick, Timo and
                      Soubatch, Serguei and Sokolowski, Moritz and Tautz, F. S.},
      title        = {{D}etermination of the adsorption geometry of {PTCDA} on
                      the {C}u(100) surface},
      journal      = {Physical review / B},
      volume       = {96},
      number       = {7},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-06284},
      pages        = {075414},
      year         = {2017},
      abstract     = {The adsorption geometry, namely the height and the site, of
                      3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on the
                      Cu(100) surface was determined by the normal incidence x-ray
                      standing wave (NIXSW) technique including triangulation. The
                      two PTCDA molecules in the superstructure unit cell, which
                      have perpendicular azimuthal orientation, are both located
                      at bridge sites, the long molecular axis being parallel to
                      the bridge. Carboxylic oxygen atoms and several atoms of the
                      carbon backbone are located close to on-top positions. The
                      vertical distortion motif of PTCDA on Cu(100) differs from
                      that on the three low-index Ag surfaces, because significant
                      downward displacement of the carboxylic oxygen atoms is
                      lacking. In particular, the carbon backbone of PTCDA adsorbs
                      closer to the surface than extrapolated from Ag data. This
                      suggests a relative increase of the attractive interactions
                      between the carbon backbone of PTCDA and the Cu(100) surface
                      versus the attractive interactions on the carboxylic oxygen
                      atoms.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000407319300004},
      doi          = {10.1103/PhysRevB.96.075414},
      url          = {https://juser.fz-juelich.de/record/837319},
}