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@ARTICLE{Hartel:1032476,
      author       = {Hartel, Johannes and Banik, Ananya and Ali, Md Yusuf and
                      Helm, Bianca and Strotmann, Kyra and Faka, Vasiliki and
                      Maus, Oliver and Li, Cheng and Wiggers, Hartmut and Zeier,
                      Wolfgang},
      title        = {{I}nvestigating the {I}nfluence of {T}ransition {M}etal
                      {S}ubstitution in {L}ithium {A}rgyrodites on {S}tructure,
                      {T}ransport, and {S}olid-{S}tate {B}attery {P}erformance},
      journal      = {Chemistry of materials},
      volume       = {36},
      number       = {21},
      issn         = {0897-4756},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2024-06269},
      pages        = {10731 - 10745},
      year         = {2024},
      note         = {FESTBATT funded by the Bundesministerium für Bildung und
                      Forschung (BMBF; project 03XP0430F), Deutsche
                      Forschungsgemeinschaft under project number 459785385},
      abstract     = {Lithium argyrodites have gained significant attention as
                      candidates for solid electrolytes in solid-state batteries
                      due to their superior ionic conductivities and favorable
                      mechanical properties. However, during charging, oxidative
                      decomposition reactions occur at the interface between the
                      solid electrolyte and cathode active material, which impede
                      cell performance. In this study, transition metal
                      substitution of the solid electrolyte is investigated with
                      the intention of tuning the composition of the cathode
                      electrolyte interphase (CEI) and thereby improving the
                      cycling performance. Hence, the
                      $Li_{5.5–2x}Zn_xPS_{4.5}Cl_{1.5}$ (0 ≤ x ≤ 0.15) and
                      $Li_{6–2x}Zn_xPS_5Br$ (0 ≤ x ≤ 0.15) substitution
                      series are investigated to elucidate how substitution
                      affects structure, $Li^+$ transport, and the performance of
                      the materials as catholytes in solid-state batteries.
                      Corefinement of the neutron and powder X-ray diffraction
                      data unveils the occupation of $Li^+$ positions by
                      $Zn^{2+}$. This leads to blocking of $Li^+$ transport
                      pathways within the $Li^+$ cages causing a decrease of ionic
                      conductivities along with increasing activation energies for
                      $Li^+$ transport. By using a combination of cycling
                      experiments, impedance spectroscopy and X-ray photoelectron
                      spectroscopy, the composition of the CEI and the
                      state-of-charge dependence of the CEI growth when using
                      $Li_{5.5–2x}Zn_xPS_{4.5}Cl_{1.5}$|NCM-83 composites was
                      investigated in half-cells, revealing that $Zn^{2+}$
                      substitution leads to faster decomposition kinetics and
                      affects the CEI composition. Overall, this work explores the
                      influence of Li+ substitution by $Zn^{2+}$ on structure and
                      transport in lithium argyrodites and the potential of
                      transition metal substitutions as means to tune the kinetics
                      of CEI growth, the CEI composition, and thereby cell
                      performance.},
      cin          = {IMD-4},
      ddc          = {540},
      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:001348337400001},
      doi          = {10.1021/acs.chemmater.4c02281},
      url          = {https://juser.fz-juelich.de/record/1032476},
}