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@ARTICLE{Daniel:1008999,
      author       = {Daniel, Davis Thomas and Oevermann, Steffen and Mitra,
                      Souvik and Rudolf, Katharina and Heuer, Andreas and Eichel,
                      Rüdiger-A. and Winter, Martin and Diddens, Diddo and
                      Brunklaus, Gunther and Granwehr, Josef},
      title        = {{M}ultimodal investigation of electronic transport in
                      {PTMA} and its impact on organic radical battery
                      performance},
      journal      = {Scientific reports},
      volume       = {13},
      number       = {1},
      issn         = {2045-2322},
      address      = {[London]},
      publisher    = {Macmillan Publishers Limited, part of Springer Nature},
      reportid     = {FZJ-2023-02568},
      pages        = {10934},
      year         = {2023},
      abstract     = {Organic radical batteries (ORBs) represent a viable pathway
                      to a more sustainable energy storage technology compared
                      toconventional Li-ion batteries. For further materials and
                      cell development towards competitive energy and power
                      densities, adeeper understanding of electron transport and
                      conductivity in organic radical polymer cathodes is
                      required. Such electrontransport is characterised by
                      electron hopping processes, which depend on the presence of
                      closely spaced hopping sites.Using a combination of
                      electrochemical, electron paramagnetic resonance (EPR)
                      spectroscopic, and theoretical moleculardynamics (MD) as
                      well as density functional theory (DFT) modelling
                      techniques, we explored how compositional characteristicsof
                      cross-linked poly(2,2,6,6-tetramethyl-1-piperidinyloxy-4-yl
                      methacrylate) (PTMA) polymers govern electron hopping
                      andrationalise their impact on ORB performance.
                      Electrochemistry and EPR spectroscopy not only show a
                      correlation betweencapacity and the total number of radicals
                      in an ORB using a PTMA cathode, but also indicates that the
                      state-of-health degradesabout twice as fast if the amount of
                      radical is reduced by $15\%.$ The presence of up to $3\%$
                      free monomer radicals did not improvefast charging
                      capabilities. Pulsed EPR indicated that these radicals
                      readily dissolve into the electrolyte but a direct effect
                      onbattery degradation could not be shown. However, a
                      qualitative impact cannot be excluded either. The work
                      further illustratesthat nitroxide units have a high affinity
                      to the carbon black conductive additive, indicating the
                      possibility of its participation inelectron hopping. At the
                      same time, the polymers attempt to adopt a compact
                      conformation to increase radical–radical contact.Hence, a
                      kinetic competition exists, which might gradually be altered
                      towards a thermodynamically more stable configuration
                      byrepeated cycling, yet further investigations are required
                      for its characterisation.},
      cin          = {IEK-12 / IEK-9},
      ddc          = {600},
      cid          = {I:(DE-Juel1)IEK-12-20141217 / I:(DE-Juel1)IEK-9-20110218},
      pnm          = {1222 - Components and Cells (POF4-122) / 1223 - Batteries
                      in Application (POF4-122) / DFG project 422726248 - SPP
                      2248: Polymer-basierte Batterien (422726248) / HITEC -
                      Helmholtz Interdisciplinary Doctoral Training in Energy and
                      Climate Research (HITEC) (HITEC-20170406)},
      pid          = {G:(DE-HGF)POF4-1222 / G:(DE-HGF)POF4-1223 /
                      G:(GEPRIS)422726248 / G:(DE-Juel1)HITEC-20170406},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {37414786},
      UT           = {WOS:001026209100048},
      doi          = {10.1038/s41598-023-37308-5},
      url          = {https://juser.fz-juelich.de/record/1008999},
}