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@ARTICLE{Kuo:1023078,
      author       = {Kuo, Liang-Yin and Roitzheim, Christoph and Valencia, Helen
                      and Mayer, Joachim and Möller, Sören and Myung, Seung-Taek
                      and Finsterbusch, Martin and Guillon, Olivier and
                      Fattakhova-Rohlfing, Dina and Kaghazchi, Payam},
      title        = {{D}oping‐{I}nduced {S}urface and {G}rain {B}oundary
                      {E}ffects in {N}i‐{R}ich {L}ayered {C}athode {M}aterials},
      journal      = {Small},
      volume       = {20},
      number       = {26},
      issn         = {1613-6810},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2024-01651},
      pages        = {2307678},
      year         = {2024},
      note         = {granted through JARA-HPC on the supercomputer JURECA (evtl.
                      müssen beide Angaben noch hinzugefügt werden!)},
      abstract     = {AbstractIn this work, the effects of dopant size and
                      oxidation state on the structure and electrochemical
                      performance of LiNi0.8Co0.1Mn0.1O2 (NCM811) are
                      investigated. It is shown that doping with boron (B) which
                      has a small ionic radius and an oxidation state of 3+, leads
                      to the formation of a boron oxide-containing surface coating
                      (probably Li3BO3), mainly on the outer surface of the
                      secondary particles. Due to this effect, boron only slightly
                      affects the size of the primary particle and the initial
                      capacity, but significantly improves the capacity retention.
                      On the other hand, the dopant ruthenium (Ru) with a larger
                      ionic radius and a higher oxidation state of 5+ can be
                      stabilized within the secondary particles and does not
                      experience a segregation to the outer agglomerate surface.
                      However, the Ru dopant preferentially occupies incoherent
                      grain boundary sites, resulting in smaller primary particle
                      size and initial capacity than for the B-doped and pristine
                      NCM811. This work demonstrates that a small percentage of
                      dopant (2 $mol\%)$ cannot significantly affect bulk
                      properties, but it can strongly influence the surface and/or
                      grain boundary properties of microstructure and thus the
                      overall performance of cathode materials.},
      cin          = {ER-C-2 / IEK-1},
      ddc          = {620},
      cid          = {I:(DE-Juel1)ER-C-2-20170209 / I:(DE-Juel1)IEK-1-20101013},
      pnm          = {5353 - Understanding the Structural and Functional Behavior
                      of Solid State Systems (POF4-535) / 1221 - Fundamentals and
                      Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-5353 / G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38258588},
      UT           = {WOS:001147087000001},
      doi          = {10.1002/smll.202307678},
      url          = {https://juser.fz-juelich.de/record/1023078},
}