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@ARTICLE{Windmller:877718,
      author       = {Windmüller, Anna and Bridges, Craig A. and Tsai, Chih-Long
                      and Lobe, Sandra and Dellen, Christian and Veith, Gabriel M.
                      and Finsterbusch, Martin and Uhlenbruck, Sven and Guillon,
                      Olivier},
      title        = {{I}mpact of {F}luorination on {P}hase {S}tability,
                      {C}rystal {C}hemistry, and {C}apacity of {L}i{C}o{M}n{O} 4
                      {H}igh {V}oltage {S}pinels},
      journal      = {ACS applied energy materials},
      volume       = {1},
      number       = {2},
      issn         = {2574-0962},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2020-02419},
      pages        = {715 - 724},
      year         = {2018},
      abstract     = {Fluorinated LiCoMnO4−yFy (y = 0, 0.05, 0.1) spinel
                      electrodes, electrochemically active at 5−5.3 V versus
                      Li/Li+, show enhanced phase purity and enhanced capacity
                      with increasing y. We disclose the impact of fluorination on
                      the phase purity and reversible capacity of LiCoMnO4 via
                      joint Rietveld refinement of neutron and synchrotron powder
                      diffraction data, combined with micro-Raman spectroscopy. It
                      is found that fluorination stabilizes the spinel phase and
                      hinders precipitation of Li2MnO3 as a secondary phase, which
                      controls the cation distribution on tetrahedral and
                      octahedral sites in spinel. That is to say, for higher
                      fluorine content the cobalt occupancy at the tetrahedral
                      site in spinel decreases, and the lithium occupancy
                      increases. Accordingly, the number of lithium sites that are
                      available for electrochemical extraction and insertion of
                      lithium ions is raised so that the capacity isincreased.
                      Further investigation of the lithium ion diffusion by means
                      of cyclic voltammetry at different scan rates and the
                      application of the Randles−Sevcik equation were carried
                      out to investigate the extent of capacity enhancement due to
                      faster lithium ion diffusion in the high voltage region.},
      cin          = {IEK-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {131 - Electrochemical Storage (POF3-131) / BMBF-03SF0477A -
                      DESIREE : Defektspinelle als Hochenergie- und
                      Hochleistungsmaterialien zur elektrochemischen
                      Energiespeicherung, Teilprojekte:
                      Partikelmikrostrukturierung und Modellsysteme,
                      Makroskopische und atomistische Analyse von
                      elektrochemischen Vorgängen (BMBF-03SF0477A)},
      pid          = {G:(DE-HGF)POF3-131 / G:(DE-82)BMBF-03SF0477A},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000458705100061},
      doi          = {10.1021/acsaem.7b00186},
      url          = {https://juser.fz-juelich.de/record/877718},
}