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@ARTICLE{Faka:1042707,
      author       = {Faka, Vasiliki and Samanta, Bibek and Lange, Martin A. and
                      Helm, Bianca and Martinez de Irujo-Labalde, Xabier and
                      Kierdorf, Niklas and Ketter, Lukas and Suard, Emmanuelle and
                      Kraft, Marvin A. and Francisco, Brian E. and Hansen, Michael
                      Ryan and Zeier, Wolfgang},
      title        = {{E}nhancing ionic conductivity in ${L}i_{6+ x} {G}e_x
                      {P}_{1−x}{S}_5{B}r$: impact of ${L}i^+$ substructure on
                      ionic transport and solid-state battery performance},
      journal      = {Journal of materials chemistry / A},
      volume       = {7},
      issn         = {2050-7488},
      address      = {London ˜[u.a.]œ},
      publisher    = {RSC},
      reportid     = {FZJ-2025-02653},
      pages        = {17452-17466},
      year         = {2025},
      abstract     = {Solid-state batteries have been investigated as efficient
                      energy storage systems due to the increased power and energy
                      densities that they can offer compared to liquid-based
                      batteries. The search for solid electrolytes with high ionic
                      conductivities, sufficient electrochemical and mechanical
                      stability is indispensable. In this work, the $Li_{6+ x}
                      Ge_x P_{1−x}S_5Br$ substitution series is investigated via
                      X-ray and neutron powder diffraction, as well as impedance
                      and solid-state nuclear magnetic resonance spectroscopy.
                      Structural analyses reveal the expansion of the cage-like
                      $Li^+$ substructure with increasing degree of substitution
                      of Ge(IV) for P(V) in $Li_{6+ x} Ge_x P_{1−x}S_5Br$.
                      Solid-state nuclear magnetic resonance spectroscopy
                      measurements reveal the gradual changes in cation
                      environments ($^6Li$ and $^{31}P$) and the effect of Ge(IV)
                      substitution on local $Li^+$ transport. Impedance
                      spectroscopy shows an improvement of ionic conductivity at
                      room temperature up to fivefold for
                      $Li_{6.31}Ge_{0.31}P_{0.69}S_5Br$ and decreasing activation
                      energies. Employing $Li_{6.31}Ge_{0.31}P_{0.69}S_5Br$ as a
                      catholyte in $LiNi_xMn_yCo_zO_2$ based solid-state batteries
                      results in reproducibly higher active material utilization
                      and rate stability in comparison to $Li_6PS_5Br$. This work
                      emphasizes the importance of understanding the $Li^+$
                      substructure of argyrodites in correlation with the $Li^+$
                      transport properties to systematically develop highly
                      conductive $Li^+$ solid electrolytes for improved
                      solid-state batteries.},
      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},
      UT           = {WOS:001489149300001},
      doi          = {10.1039/D5TA01651G},
      url          = {https://juser.fz-juelich.de/record/1042707},
}