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@ARTICLE{Privitera:904111,
      author       = {Privitera, Alberto and Warren, Ross and Londi, Giacomo and
                      Kaienburg, Pascal and Liu, Junjie and Sperlich, Andreas and
                      Lauritzen, Andreas E. and Thimm, Oliver and Ardavan, Arzhang
                      and Beljonne, David and Riede, Moritz},
      title        = {{E}lectron spin as fingerprint for charge generation and
                      transport in doped organic semiconductors},
      journal      = {Journal of materials chemistry / C},
      volume       = {9},
      number       = {8},
      issn         = {2050-7526},
      address      = {London ˜[u.a.]œ},
      publisher    = {RSC},
      reportid     = {FZJ-2021-05681},
      pages        = {2944 - 2954},
      year         = {2021},
      abstract     = {We use the electron spin as a probe to gain insight into
                      the mechanism of molecular doping in a p-doped zinc
                      phthalocyanine host across a broad range of temperatures
                      (80–280 K) and doping concentrations (0–5 $wt\%$ of
                      F6-TCNNQ). Electron paramagnetic resonance (EPR)
                      spectroscopy discloses the presence of two main paramagnetic
                      species distinguished by two different g-tensors, which are
                      assigned based on density functional theory calculations to
                      the formation of a positive polaron on the host and a
                      radical anion on the dopant. Close inspection of the EPR
                      spectra shows that radical anions on the dopants couple in
                      an antiferromagnetic manner at device-relevant doping
                      concentrations, thereby suggesting the presence of dopant
                      clustering, and that positive polarons on the molecular host
                      move by polaron hopping with an activation energy of 5 meV.
                      This activation energy is substantially smaller than that
                      inferred from electrical conductivity measurements (∼233
                      meV), as the latter also includes a (major) contribution
                      from charge-transfer state dissociation. It emerges from
                      this study that probing the electron spin can provide rich
                      information on the nature and dynamics of charge carriers
                      generated upon doping molecular semiconductors, which could
                      serve as a basis for the design of the next generation of
                      dopant and host materials.},
      cin          = {IEK-5},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-5-20101013},
      pnm          = {1215 - Simulations, Theory, Optics, and Analytics (STOA)
                      (POF4-121)},
      pid          = {G:(DE-HGF)POF4-1215},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000625555700035},
      doi          = {10.1039/D0TC06097F},
      url          = {https://juser.fz-juelich.de/record/904111},
}