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@ARTICLE{Zamborlini:830552,
      author       = {Zamborlini, Giovanni and Lüftner, Daniel and Feng, Zhijing
                      and Kollmann, Bernd and Puschnig, Peter and Dri, Carlo and
                      Panighel, Mirko and Di Santo, Giovanni and Goldoni, Andrea
                      and Comelli, Giovanni and Jugovac, Matteo and Feyer, Vitaliy
                      and Schneidery, Claus Michael},
      title        = {{M}ulti-orbital charge transfer at highly oriented
                      organic/metal interfaces},
      journal      = {Nature Communications},
      volume       = {8},
      number       = {1},
      issn         = {2041-1723},
      address      = {London},
      publisher    = {Nature Publishing Group},
      reportid     = {FZJ-2017-04084},
      pages        = {335},
      year         = {2017},
      abstract     = {The molecule–substrate interaction plays a key role in
                      charge injection organic-based devices. Charge transfer at
                      molecule–metal interfaces strongly affects the overall
                      physical and magnetic properties of the system, and
                      ultimately the device performance. Here, we report
                      theoretical and experimental evidence of a pronounced charge
                      transfer involving nickel tetraphenyl porphyrin molecules
                      adsorbed on Cu(100). The exceptional charge transfer leads
                      to filling of the higher unoccupied orbitals up to LUMO+3.
                      As a consequence of this strong interaction with the
                      substrate, the porphyrin’s macrocycle sits very close to
                      the surface, forcing the phenyl ligands to bend upwards. Due
                      to this adsorption configuration, scanning tunneling
                      microscopy cannot reliably probe the states related to the
                      macrocycle. We demonstrate that photoemission tomography can
                      instead access the Ni-TPP macrocycle electronic states and
                      determine the reordering and filling of the LUMOs upon
                      adsorption, thereby confirming the remarkable charge
                      transfer predicted by density functional theory
                      calculations.},
      cin          = {PGI-6},
      ddc          = {500},
      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},
      pubmed       = {pmid:28839127},
      UT           = {WOS:000408376600001},
      doi          = {10.1038/s41467-017-00402-0},
      url          = {https://juser.fz-juelich.de/record/830552},
}