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@ARTICLE{Lennartz:3299,
      author       = {Lennartz, C. and Atodiresei, N. and Müller-Meskamp, L. and
                      Karthäuser, S. and Waser, R. and Blügel, S.},
      title        = {{C}u-adatom-mediated bonding in close-packed benzoate/{C}u
                      (110)-{S}ystems},
      journal      = {Langmuir},
      volume       = {25},
      issn         = {0743-7463},
      address      = {Washington, DC},
      publisher    = {ACS Publ.},
      reportid     = {PreJuSER-3299},
      pages        = {856 - 864},
      year         = {2009},
      note         = {We like to thank N.V. Richardson for valuable discussion.
                      Further, we thank K. Szot and J. Szade for XPS measurements,
                      C. Thomas and U. Linke for the copper single crystals. This
                      work was supported by the DFG Priority Program "Quantum
                      Transport at the Molecular Scale" SPP1243. The theoretical
                      calculations have been performed on the IBM Regatta and Blue
                      Gene/L supercomputers in Julich Supercomputing Centre
                      (JSC).},
      abstract     = {Using UHV-STM investigations and density-functional theory
                      calculations we prove the contribution of Cu-adatoms to the
                      stabilization of a new high-density phase of benzoate
                      molecules on a Cu(110) substrate. We show that two different
                      chemical species, benzoate and benzoate Cu-adatoms
                      molecules, build the new close-packed structure. Although
                      both species bind strongly to the copper surface, we
                      identify the benzoate Cu-adatoms molecules as the more
                      mobile species on the surface due to their reduced dipole
                      moment and their lower binding energy compared to benzoate
                      molecules. Therefore, the self-assembly process is supposed
                      to be mediated by benzoate Cu-adatom species, which is
                      analogous to the gold-thiolate species on Au(111) surfaces.},
      keywords     = {Benzoates: chemistry / Computer Simulation / Copper:
                      chemistry / Microscopy, Scanning Tunneling / Models,
                      Chemical / Particle Size / Surface Properties / Benzoates
                      (NLM Chemicals) / Copper (NLM Chemicals) / J (WoSType)},
      cin          = {IFF-6 / JARA-FIT / IFF-1 / JARA-HPC},
      ddc          = {670},
      cid          = {I:(DE-Juel1)VDB786 / $I:(DE-82)080009_20140620$ /
                      I:(DE-Juel1)VDB781 / $I:(DE-82)080012_20140620$},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Chemistry, Multidisciplinary / Chemistry, Physical /
                      Materials Science, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:19177646},
      UT           = {WOS:000262431100032},
      doi          = {10.1021/la801822e},
      url          = {https://juser.fz-juelich.de/record/3299},
}