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@ARTICLE{Yang:904015,
      author       = {Yang, Liangtao and Kuo, Liang-Yin and López del Amo, Juan
                      Miguel and Nayak, Prasant Kumar and Mazzio, Katherine A. and
                      Maletti, Sebastian and Mikhailova, Daria and Giebeler, Lars
                      and Kaghazchi, Payam and Rojo, Teófilo and Adelhelm,
                      Philipp},
      title        = {{S}tructural {A}spects of {P}2‐{T}ype {N}a 0.67 {M}n 0.6
                      {N}i 0.2 {L}i 0.2 {O} 2 ({MNL}) {S}tabilization by {L}ithium
                      {D}efects as a {C}athode {M}aterial for {S}odium‐{I}on
                      {B}atteries},
      journal      = {Advanced functional materials},
      volume       = {31},
      number       = {38},
      issn         = {1057-9257},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2021-05585},
      pages        = {2102939 -},
      year         = {2021},
      abstract     = {A known strategy for improving the properties of layered
                      oxide electrodes in sodium-ion batteries is the partial
                      substitution of transition metals by Li. Herein, the role of
                      Li as a defect and its impact on sodium storage in
                      P2-Na0.67Mn0.6Ni0.2Li0.2O2 is discussed. In tandem with
                      electrochemical studies, the electronic and atomic structure
                      are studied using solid-state NMR, operando XRD, and density
                      functional theory (DFT). For the as-synthesized material, Li
                      is located in comparable amounts within the sodium and the
                      transition metal oxide (TMO) layers. Desodiation leads to a
                      redistribution of Li ions within the crystal lattice. During
                      charging, Li ions from the Na layer first migrate to the TMO
                      layer before reversing their course at low Na contents.
                      There is little change in the lattice parameters during
                      charging/discharging, indicating stabilization of the P2
                      structure. This leads to a solid-solution type storage
                      mechanism (sloping voltage profile) and hence excellent
                      cycle life with a capacity of 110 mAh g-1 after 100 cycles.
                      In contrast, the Li-free compositions Na0.67Mn0.6Ni0.4O2 and
                      Na0.67Mn0.8Ni0.2O2 show phase transitions and a stair-case
                      voltage profile. The capacity is found to originate from
                      mainly Ni3+/Ni4+ and O2-/O2-δ redox processes by DFT,
                      although a small contribution from Mn4+/Mn5+ to the capacity
                      cannot be excluded.},
      cin          = {IEK-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000669957600001},
      doi          = {10.1002/adfm.202102939},
      url          = {https://juser.fz-juelich.de/record/904015},
}