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@ARTICLE{Bger:1047538,
      author       = {Böger, Thorben and Strotmann, Kyra and Faka, Vasiliki and
                      Maus, Oliver and Abernathy, Douglas L. and Granroth, Garrett
                      E. and Jalarvo, Niina H. and Li, Cheng and Suard, Emmanuelle
                      and Zeier, Wolfgang},
      title        = {{I}mpact of structural coherence and disorder on the ionic
                      transport and lattice dynamics in ${L}i^+$ -conducting
                      argyrodites},
      journal      = {Journal of materials chemistry / A},
      volume       = {13},
      issn         = {2050-7488},
      address      = {London ˜[u.a.]œ},
      publisher    = {RSC},
      reportid     = {FZJ-2025-04368},
      pages        = {39211-39228},
      year         = {2025},
      abstract     = {Solid-state batteries offer improved safety and higher
                      energy density compared to conventional lithium-ion systems.
                      Among candidate solid electrolytes, lithium argyrodites
                      stand out for their exceptional ionic conductivity and
                      compositional flexibility. Recent studies have revealed
                      strongly anharmonic, liquid-like ion and lattice dynamics in
                      these materials, including the collapse of soft phonons
                      driven by $Li^+ $diffusion, which impacts both local
                      vibrations and thermal transport. Yet, the connection
                      between the local structure, phonon dynamics, and
                      macroscopic heat transport remains unresolved. In this work,
                      we employ post-synthesis processing to tune microstructural
                      parameters—such as crystallite size, strain, and coherence
                      length—in two model systems: $Li_{5.5}PS_{4.5}Cl_{1.5}$
                      and $Li_6PS_5Br$. We systematically examine how mechanical
                      treatments influence structural coherence, ion and lattice
                      dynamics, and thermal transport. To further probe the role
                      of structural disorder, we investigate bromide substitution
                      in $Li_6PS_5I$. Across all compounds, thermal transport
                      above 100 K is dominated by diffusons. At lower
                      temperatures, however, structural disorder is significantly
                      more effective than reduced coherence length at suppressing
                      phonon-gas-type transport, underscoring the crucial role of
                      the local structure. Together with a detailed analysis of
                      lithium-ion dynamics, these results provide new insights
                      into how structural coherence and disorder govern both
                      transport and vibrational properties in fast ionic
                      conductors.},
      cin          = {IMD-4},
      ddc          = {530},
      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},
      pubmed       = {41132693},
      UT           = {WOS:001599319000001},
      doi          = {10.1039/D5TA07185B},
      url          = {https://juser.fz-juelich.de/record/1047538},
}