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@ARTICLE{Kraus:908357,
      author       = {Kraus, Stefan and Herman, Alexander and Huttmann, Felix and
                      Krämer, Christian and Amsharov, Konstantin and Tsukamoto,
                      Shigeru and Wende, Heiko and Atodiresei, Nicolae and
                      Michely, Thomas},
      title        = {{S}electing the {R}eaction {P}ath in {O}n-{S}urface
                      {S}ynthesis through the {E}lectron {C}hemical {P}otential in
                      {G}raphene},
      journal      = {Journal of the American Chemical Society},
      volume       = {144},
      number       = {24},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2022-02559},
      pages        = {11003 - 11009},
      year         = {2022},
      abstract     = {The organometallic on-surface synthesis of the
                      eight-membered sp2 carbon-based ring cyclooctatetraene
                      (C8H8, Cot) with the neighboring rare-earth elements
                      ytterbium and thulium yields fundamentally different
                      products for the two lanthanides, when conducted on graphene
                      (Gr) close to the charge neutrality point.
                      Sandwich-molecular YbCot wires of more than 500 Å length
                      being composed of an alternating sequence of Yb atoms and
                      upright-standing Cot molecules result from the on-surface
                      synthesis with Yb. In contrast, repulsively interacting
                      TmCot dots consisting of a single Cot molecule and a single
                      Tm atom result from the on-surface synthesis with Tm. While
                      the YbCot wires are bound through van der Waals interactions
                      to the substrate, the dots are chemisorbed to Gr via the Tm
                      atoms being more electropositive compared to Yb atoms. When
                      the electron chemical potential in Gr is substantially
                      raised (n-doping) through backside doping from an
                      intercalation layer, the reaction product in the synthesis
                      with Tm can be tuned to TmCot sandwich-molecular wires
                      rather than TmCot dots. By use of density functional theory,
                      it is found that the reduced electronegativity of Gr upon
                      n-doping weakens the binding as well as the charge transfer
                      between the reaction intermediate TmCot dot and Gr. Thus,
                      the assembly of the TmCot dots to long TmCot
                      sandwich-molecular wires becomes energetically favorable. It
                      is thereby demonstrated that the electron chemical potential
                      in Gr can be used as a control parameter in an
                      organometallic on-surface synthesis to tune the outcome of a
                      reaction.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:35695094},
      UT           = {WOS:000817075300001},
      doi          = {10.1021/jacs.2c04359},
      url          = {https://juser.fz-juelich.de/record/908357},
}