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@ARTICLE{Roitzheim:909187,
      author       = {Roitzheim, Christoph and Sohn, Yoo Jung and Kuo, Liang-Yin
                      and Häuschen, Grit and Mann, Markus and Sebold, Doris and
                      Finsterbusch, Martin and Kaghazchi, Payam and Guillon,
                      Olivier and Fattakhova-Rohlfing, Dina},
      title        = {{A}ll-{S}olid-{S}tate {L}i {B}atteries with
                      {NCM}–{G}arnet-{B}ased {C}omposite {C}athodes: {T}he
                      {I}mpact of {NCM} {C}omposition on {M}aterial
                      {C}ompatibility},
      journal      = {ACS applied energy materials},
      volume       = {5},
      number       = {6},
      issn         = {2574-0962},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2022-03055},
      pages        = {6913 - 6926},
      year         = {2022},
      abstract     = {Garnet-based all-solid-state batteries (ASBs) with high
                      energy density require composite cathodes with high areal
                      loading and high-capacity cathode active materials. While
                      all ceramic cathodes can typically be manufactured via
                      cosintering, the elevated temperatures necessary for this
                      process pose challenges with respect to material
                      compatibility. High-capacity cathode active materials like
                      Ni-rich LiNixCoyMn1–x–yO2 (NCM) show insufficient
                      material compatibility toward the solid electrolyte
                      Li6.45Al0.05La3Zr1.6Ta0.4O12 (LLZO:Ta) during cosintering,
                      leading to the formation of highly resistive interphases. We
                      investigated this secondary phase formation both
                      experimentally and via density functional theory calculation
                      to get a mechanistic understanding of the cosintering
                      behavior of LLZO:Ta with NCM111 and Ni-rich NCM811.
                      Furthermore, we employed B doping of both NCM materials in
                      order to assess its impact on the cation interchange and
                      subsequent secondary phase formation. While secondary phases
                      were formed for all four NCM materials, their onset
                      temperature, nature, and amount strongly depend on the NCM
                      composition and doping. Surprisingly, Ni-rich NCM811 turned
                      out to be the most promising cathode active material for the
                      combination with garnet-type LLZO:Ta. As proof of concept,
                      fully inorganic, ceramic all-solid-state lithium batteries
                      featuring only a Li-metal anode, an LLZO:Ta separator, and a
                      composite cathode, consisting of LLZO:Ta, Li3BO3, and
                      NCM811, were prepared by conventional sintering. The purely
                      inorganic full cells delivered a high specific areal
                      discharge capacity of 0.7 mA h cm–2 in the initial cycle.},
      cin          = {IEK-1 / IEK-12},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013 / 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:000819121400001},
      doi          = {10.1021/acsaem.2c00533},
      url          = {https://juser.fz-juelich.de/record/909187},
}