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@ARTICLE{Voronina:894621,
      author       = {Voronina, Natalia and Yaqoob, Najma and Kim, Hee Jae and
                      Lee, Kug-Seung and Lim, Hee-Dae and Jung, Hun-Gi and
                      Guillon, Olivier and Kaghazchi, Payam and Myung, Seung-Taek},
      title        = {{A} {N}ew {A}pproach to {S}table {C}ationic and {A}nionic
                      {R}edox {A}ctivity in {O}3‐{L}ayered {C}athode for
                      {S}odium‐{I}on {B}atteries},
      journal      = {Advanced energy materials},
      volume       = {11},
      number       = {25},
      issn         = {1614-6840},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2021-03318},
      pages        = {2100901 -},
      year         = {2021},
      abstract     = {Herein, stable cationic and anionic redox in an O3-type
                      layered Na[Ni2/3Ru1/3]O2 cathode for sodium-ion batteries
                      (SIBs) is revealed. Density functional theory (DFT)
                      calculation shows that the electron density features change
                      in density of state with mixing of delocalized valence
                      states as well as localized deeper energy states of O(p),
                      Ni(d), and Ru(d) for the highly desodiated
                      Na1−x[Ni2/3Ru1/3]O2 electrode, revealing the covalent
                      characteristic of the transition metal (TM)O and TMTM
                      bonds in the charged system. These properties lead to
                      cycling stability for 200 cycles, with $≈79\%$ of the
                      capacity retained at a rate of 1C (210 mA g−1). Operando
                      X-ray diffraction, X-ray absorption spectroscopy, and DFT
                      calculations reveal the reversible electrochemical activity
                      of the Ni2+/Ni3+ and O2−/O1− redox reactions, which are
                      sustainable throughout the cycles. In addition, no loss of
                      oxygen from the crystal structure of Na[Ni2/3Ru1/3]O2 occurs
                      according to differential electrochemical mass spectrometry.
                      The findings provide additional insight into the complex
                      mechanism of the oxygen redox activity of high-capacity
                      O3-type cathode materials for SIBs, encouraging further
                      studies on their development.},
      cin          = {IEK-1},
      ddc          = {050},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {1223 - Batteries in Application (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1223},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000652107800001},
      doi          = {10.1002/aenm.202100901},
      url          = {https://juser.fz-juelich.de/record/894621},
}