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@ARTICLE{Quach:1024772,
      author       = {Quach, Linda and Adhitama, Egy and Göldner, Valentin and
                      Das, Ankita and Demelash, Feleke and Winter, Martin and
                      Karst, Uwe and Placke, Tobias and Glorius, Frank},
      title        = {{M}olecular {D}esign of {F}ilm-{F}orming {A}dditives for
                      {L}ithium-{I}on {B}atteries: {I}mpact of {M}olecular
                      {S}ubstrate {P}arameters on {C}ell {P}erformance},
      journal      = {ACS applied energy materials},
      volume       = {6},
      number       = {19},
      issn         = {2574-0962},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {FZJ-2024-02438},
      pages        = {9837 - 9850},
      year         = {2023},
      abstract     = {Film-forming electrolyte additives are crucial for
                      establishing the performance and safety of
                      high-energy-density lithium-ion batteries (LIBs). Thorough
                      investigation of the solid electrolyte interphase (SEI)
                      formation and of the decomposition mechanisms of the
                      additives is needed. In this work, several derivatives of
                      N-carboxyanhydrides (N-CAs) are synthesized to distinguish
                      relevant molecular substrate parameters crucial for
                      polymerization and film formation and evaluated in
                      LiNi0.8Co0.1Mn0.1O2||Si/graphite cells. Electrochemical
                      performance and laser desorption/ionization mass
                      spectrometry analyses are conducted to elucidate underlying
                      decomposition mechanisms and their dependency on functional
                      moieties. Incorporation of sterically demanding moieties
                      showed beneficial cell performance depending on the size of
                      the functional group. The variation of functionality on the
                      N-CA core shows an influence on the film formation and the
                      flexibility of the formed SEI film rendering steric demand
                      and the electronic properties of a functional group
                      significant molecular parameters. This study is intended to
                      enhance the fundamental understanding of influential
                      substrate parameters of the molecule and to navigate the
                      direction of research toward a both creative and systematic
                      approach of electrolyte additive design for
                      high-energy-density LIB cells.},
      cin          = {IEK-12},
      ddc          = {540},
      cid          = {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:001068587400001},
      doi          = {10.1021/acsaem.3c01109},
      url          = {https://juser.fz-juelich.de/record/1024772},
}