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@ARTICLE{Mercurio:151162,
      author       = {Mercurio, Giuseppe and Maurer, Reinhard J. and Hagen,
                      Sebastian and Leyssner, Felix and Meyer, Jörg and Tegeder,
                      Petra and Soubatch, Sergey and Reuter, Karsten and Tautz, F.
                      S.},
      title        = {{X}-ray standing wave simulations based on {F}ourier vector
                      analysis as a method to retrieve complex molecular
                      adsorption geometries},
      journal      = {Frontiers in physics},
      volume       = {2},
      issn         = {2296-424X},
      address      = {Lausanne},
      publisher    = {Frontiers Media},
      reportid     = {FZJ-2014-01161},
      pages        = {1-13/ 2},
      year         = {2014},
      abstract     = {We present an analysis method of normal incidence x-ray
                      standing wave (NIXSW) data that allows detailed adsorption
                      geometries of large and complex molecules to be retrieved.
                      This method (Fourier vector analysis) is based on the
                      comparison of both the coherence and phase of NIXSW data to
                      NIXSW simulations of different molecular geometries as the
                      relevant internal degrees of freedom are tuned. We introduce
                      this analysis method using the prototypical molecular switch
                      azobenzene (AB) adsorbed on the Ag(111) surface as a model
                      system. The application of the Fourier vector analysis to
                      AB/Ag(111) provides, on the one hand, detailed adsorption
                      geometries including dihedral angles, and on the other hand,
                      insights into the dynamics of molecules and their bonding to
                      the metal substrate. This analysis scheme is generally
                      applicable to any adsorbate, it is necessary for molecules
                      with potentially large distortions, and will be particularly
                      valuable for molecules whose distortion on adsorption can be
                      mapped on a limited number of internal degrees of freedom.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142)},
      pid          = {G:(DE-HGF)POF3-142},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.3389/fphy.2014.00002},
      url          = {https://juser.fz-juelich.de/record/151162},
}