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@ARTICLE{Cojocariu:888201,
      author       = {Cojocariu, Iulia and Sturmeit, Henning Maximilian and
                      Zamborlini, Giovanni and Cossaro, Albano and Verdini,
                      Alberto and Floreano, Luca and D'Incecco, Enrico and
                      Stredansky, Matus and Vesselli, Erik and Jugovac, Matteo and
                      Cinchetti, Mirko and Feyer, Vitaliy and Schneider, Claus
                      Michael},
      title        = {{E}valuation of molecular orbital symmetry via
                      oxygen-induced charge transfer quenching at a metal-organic
                      interface},
      journal      = {Applied surface science},
      volume       = {504},
      issn         = {0169-4332},
      address      = {Amsterdam},
      publisher    = {Elsevier},
      reportid     = {FZJ-2020-04755},
      pages        = {144343 -},
      year         = {2020},
      abstract     = {Thin molecular films under model conditions are often
                      exploited as benchmarks and case studies to investigate the
                      electronic and structural changes occurring on the surface
                      of metallic electrodes. Here we show that the modification
                      of a metallic surface induced by oxygen adsorption allows
                      the preservation of the geometry of a molecular adlayer,
                      giving access to the determination of molecular orbital
                      symmetries by means of near-edge X-ray absorption fine
                      structure spectroscopy, NEXAFS. As a prototypical example,
                      we exploited nickel tetraphenylporphyrin molecules deposited
                      on a bare and on an oxygen pre-covered Cu(1 0 0) surface. We
                      find that adsorbed atomic oxygen quenches the charge
                      transfer at the metal-organic interface but, in contrast to
                      a thin film sample, maintains the ordered adsorption
                      geometry of the organic molecules. In this way, it is
                      possible to disentangle π* and σ* symmetry orbitals, hence
                      estimate the relative oscillator strength of core level
                      transitions directly from the experimental data, as well as
                      to evaluate and localize the degree of charge transfer in a
                      coupled system. In particular, we neatly single out the σ*
                      contribution associated with the N 1s transition to the
                      mixed N 2px,y-Ni 3dx2-y2 orbital, which falls close to the
                      leading π*-symmetry LUMO resonance.},
      cin          = {PGI-6},
      ddc          = {660},
      cid          = {I:(DE-Juel1)PGI-6-20110106},
      pnm          = {522 - Controlling Spin-Based Phenomena (POF3-522)},
      pid          = {G:(DE-HGF)POF3-522},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000502040600103},
      doi          = {10.1016/j.apsusc.2019.144343},
      url          = {https://juser.fz-juelich.de/record/888201},
}