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@ARTICLE{Kreuzer:625355,
      author       = {Kreuzer, Lucas and Betker, Marie and Wolf, Marcell and
                      Niebuur, Bart-Jan and Ollivier, Jacques and Söderberg, L.
                      Daniel and Roth, Stephan V.},
      title        = {{I}mpact of {H}umidity on {W}ater {D}ynamics and
                      {E}lectrical {C}onductivity in {PEDOT}:{PSS}/{C}ellulose
                      {N}anofibril {N}anocomposite {F}ilms: {I}nsights from
                      {Q}uasi-{E}lastic {N}eutron {S}cattering},
      journal      = {Macromolecules},
      volume       = {58},
      number       = {5},
      issn         = {0024-9297},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PUBDB-2025-01112},
      pages        = {2247 - 2258},
      year         = {2025},
      abstract     = {The water dynamics in a nanocomposite film that consists of
                      the electrically conductive poly(3,4-ethylene
                      dioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) and
                      cellulose nanofibrils (CNFs) have been investigated during
                      three cycles of exposure to low and high relative humidity
                      (RH = $5\%$ and $85\%,$ respectively) using quasi-elastic
                      neutron scattering (QENS). The obtained dynamical structure
                      factors are transformed into the imaginary part of the
                      dynamic susceptibility to better differentiate between the
                      individual relaxation processes. In a humid environment, two
                      different water species are present inside the films:
                      fast-moving bulk water and slow-moving hydration water.
                      During the first cycle, a large amount of hydration water
                      enhances the polymer chain mobility, eventually leading to
                      irreversible structural rearrangements within the film. In
                      the subsequent cycles, we observed a release of all bulk
                      water and portions of hydration water upon drying, along
                      with an uptake of both water species in a humid environment.
                      The relaxation times of hydration water diffusion as a
                      function of momentum transfer can be described by a
                      jump-diffusion model. The obtained jump lengths, residence
                      times, and diffusion coefficients of hydration water suggest
                      a change in the hydration layer upon drying: water molecules
                      around hydrophobic groups are released from the film, while
                      the hydrogen bonds between water and hydrophilic groups are
                      sufficiently strong to keep these molecules inside the
                      films, even in a dry state. The QENS results can be
                      correlated to the structural and conductive properties. In
                      the dry state, the low hydration water content and the
                      absence of bulk water allow for improved wetting of the CNFs
                      by PEDOT:PSS, which eventually increases the electrical
                      conductivity of the films.},
      cin          = {FS-SMA / DOOR ; HAS-User},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-SMA-20220811 / I:(DE-H253)HAS-User-20120731},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      SWEDEN-DESY - SWEDEN-DESY Collaboration
                      $(2020_Join2-SWEDEN-DESY)$},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      $G:(DE-HGF)2020_Join2-SWEDEN-DESY$},
      experiment   = {EXP:(DE-H253)P-P03-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001424821400001},
      doi          = {10.1021/acs.macromol.4c02412},
      url          = {https://bib-pubdb1.desy.de/record/625355},
}