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@ARTICLE{Hartel:1008848,
      author       = {Hartel, Johannes and Banik, Ananya and Gerdes, Josef
                      Maximilian and Wankmiller, Björn and Helm, Bianca and Li,
                      Cheng and Kraft, Marvin A. and Hansen, Michael Ryan and
                      Zeier, Wolfgang G.},
      title        = {{U}nderstanding {L}ithium-{I}on {T}ransport in
                      {S}elenophosphate-{B}ased {L}ithium {A}rgyrodites and
                      {T}heir {L}imitations in {S}olid-{S}tate {B}atteries},
      journal      = {Chemistry of materials},
      volume       = {35},
      number       = {12},
      issn         = {0897-4756},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2023-02508},
      pages        = {4798 - 4809},
      year         = {2023},
      abstract     = {To develop solid-state batteries with high power and energy
                      densities, solid electrolytes with fast Li+ transport are
                      required. Superionic lithium argyrodites have proven to be a
                      versatile system, in which superior ionic conductivities can
                      be achieved by elemental substitutions. Herein, we report
                      the novel selenophosphate-based lithium argyrodites
                      Li6–xPSe5–xBr1+x (0 ≤ x ≤ 0.2) exhibiting ionic
                      conductivities up to 8.5 mS·cm–1 and uncover the origin
                      of their fast Li+ transport. Rietveld refinement of neutron
                      powder diffraction data reveals a better interconnection of
                      the Li+ cages compared to the thiophosphate analogue
                      Li6PS5Br, by the occupation of two additional Li+ sites,
                      facilitating fast Li+ transport. Additionally, a larger unit
                      cell volume, lattice softening, and higher structural
                      disorder between halide and chalcogenide are unveiled. The
                      application of Li5.85PSe4.85Br1.15 as the catholyte in
                      In/LiIn|Li6PS5Br|LiNi0.83Co0.11Mn0.06O2:Li5.85PSe4.85Br1.15
                      solid-state batteries leads to severe degradation upon
                      charging of the cell, revealing that selenophosphate-based
                      lithium argyrodites are not suitable for applications in
                      lithium nickel cobalt manganese oxide-based solid-state
                      batteries from a performance perspective. This work further
                      expands on the understanding of the structure–transport
                      relationship in Li+ conducting argyrodites and re-emphasizes
                      the necessity to consider chemical and electrochemical
                      stability of solid electrolytes against the active materials
                      when developing fast Li+ conductors.},
      cin          = {IEK-12},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-12-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001006225800001},
      doi          = {10.1021/acs.chemmater.3c00658},
      url          = {https://juser.fz-juelich.de/record/1008848},
}