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@ARTICLE{Maus:1044974,
      author       = {Maus, Oliver and Samanta, Bibek and Schreiner, Florian and
                      Strotmann, Kyra and Lange, Martin Alexander and Kraft,
                      Marvin and Hartmann, Matthias and Jalarvo, Niina and Hansen,
                      Michael Ryan and Zeier, Wolfgang},
      title        = {{C}onnecting {L}ocal {S}tructure, {S}train and {I}onic
                      {T}ransport in the {F}ast {S}odium {I}on {C}onductor
                      ${N}a_{11+x}{S}n_{2+x}{P}_{1− x}{S}_{12}$},
      journal      = {Advanced energy materials},
      volume       = {15},
      number       = {35},
      issn         = {1614-6832},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2025-03464},
      pages        = {2500861},
      year         = {2025},
      abstract     = {On the road to highly performing solid electrolytes for
                      solid state batteries, aliovalent substitution is a powerful
                      strategy to improve the ionic conductivity. While the
                      substitution allows optimization of the charge carrier
                      concentration, effects on the local structure are often
                      overlooked. Here, by pair distribution function analyses is
                      shown that partial substitution of $PS_4^{4−}$ by
                      $SnS_4^{4−}$ polyanion in the fast sodium ionic conductor
                      $Na_{11+x}Sn_{2+x}P_{1−x}S_{12}$ results in discrepancies
                      between the local and average structure. The significantly
                      larger $SnS_4^{4−}$ polyanions lead to inhomogeneities in
                      the local environments of sodium ions and induce micro
                      strain in the material. The combination of nuclear magnetic
                      resonance spectroscopy and quasi-elastic neutron scattering
                      reveals a decrease in the activation energy of fast local
                      ionic jumps. The substitution widens the bottleneck size of
                      some diffusion pathways, and a correlation between the
                      increased strain and improved local ionic transport is
                      observed. Local frustrations caused by the induced
                      inhomogeneities may flatten the energy landscape and lead to
                      the detected decrease in the activation barrier.
                      Understanding these effects of cationic substitution on the
                      local structure, induced crystallographic strain and ionic
                      transport can open up new possibilities to design fast
                      conducting solid electrolytes.},
      cin          = {IMD-4},
      ddc          = {050},
      cid          = {I:(DE-Juel1)IMD-4-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001523567800001},
      doi          = {10.1002/aenm.202500861},
      url          = {https://juser.fz-juelich.de/record/1044974},
}