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@ARTICLE{Mercurio:10248,
      author       = {Mercurio, G. and McNellis, E.R. and Martin, I. and Hagen,
                      S. and Leyssner, F. and Soubatch, S. and Meyer, J. and Wolf,
                      M. and Tegeder, P. and Tautz, F. S. and Reuter, K.},
      title        = {{S}tructure and {E}nergetics of {A}zobene on {A}g(111):
                      {B}enchmarking {S}emiempirical {D}ispersion {C}orrection
                      {A}pproaches},
      journal      = {Physical review letters},
      volume       = {104},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-10248},
      pages        = {036102},
      year         = {2010},
      note         = {Funding by the DFG through SFB658 and TA244, and computing
                      time within the DEISA Extreme Computing Initiative, is
                      acknowledged. We thank J. Zegenhagen, Y. Mi, O. Neucheva,
                      and S. Mohanty for support.},
      abstract     = {We employ normal-incidence x-ray standing wave and
                      temperature programed desorption spectroscopy to derive the
                      adsorption geometry and energetics of the prototypical
                      molecular switch azobenzene at Ag(111). This allows us to
                      assess the accuracy of semiempirical correction schemes as a
                      computationally efficient means to overcome the deficiency
                      of semilocal density-functional theory with respect to
                      long-range van derWaals (vdW) interactions. The obtained
                      agreement underscores the significant improvement provided
                      by the account of vdW interactions, with remaining
                      differences mainly attributed to the neglect of electronic
                      screening at the metallic surface.},
      keywords     = {J (WoSType)},
      cin          = {IBN-3 / JARA-FIT},
      ddc          = {550},
      cid          = {I:(DE-Juel1)VDB801 / $I:(DE-82)080009_20140620$},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000274003100029},
      doi          = {10.1103/PhysRevLett.104.036102},
      url          = {https://juser.fz-juelich.de/record/10248},
}