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@ARTICLE{Lechtenfeld:1025070,
      author       = {Lechtenfeld, Christian and Peschel, Christoph and Van
                      Wickeren, Stefan and Bloch, Aleksandra and Winter, Martin
                      and Nowak, Sascha},
      title        = {{A}nalysis of the {D}ecomposition of {S}ulfur-{B}ased
                      {E}lectrolyte {A}dditives in {S}pent {L}i{N}i 0.6 {C}o 0.2
                      {M}n 0.2 {O} 2 ||{AG} {C}ells},
      journal      = {Meeting abstracts},
      volume       = {MA2023-01},
      number       = {2},
      issn         = {1091-8213},
      address      = {Pennington, NJ},
      publisher    = {Soc.},
      reportid     = {FZJ-2024-02658},
      pages        = {649 - 649},
      year         = {2023},
      note         = {Hierbei handelt es sich lediglich um einen Abstract.},
      abstract     = {The development and optimization processes of the last
                      decades in the context of lithium ion batteries (LIBs) have
                      led to a variety of electrode chemistries, which enable
                      application-specific targets such as high energy, high
                      power, high safety or long lifetime. Most of these LIB
                      systems rely on a liquid carbonate-based electrolyte, whose
                      basic composition has changed scarcely during this period.1
                      In this respect, the usage of electrolyte additives is one
                      of the most economical and effective ways to further improve
                      the overall performance, while also impact the
                      application-tailored characteristics of the battery cells at
                      the elctrolyte level without changing the bulk properties.2
                      These improvements can range from overcharge protection to
                      lowered flammability or interphase formation, among others.
                      In particular, film-forming additives signifcantly influence
                      the performance and life time of LIBs by preventing
                      excessive decomposition of the electrolyte, which is in
                      contact with the positive and negative electrodes, by the
                      formation of a passivation layer. Investigating the
                      electrochemical decomposition of the electrolyte components,
                      especially electrolyte additives, is key to enable a better
                      understanding of the composition from the
                      electrode||electrolyte interface layer and the effects on
                      LIB cell performance.3 Thus, aging mechanisms and parasitic
                      reactions can be elucidated to improve and design new
                      electrolyte additives.Herein, the irreversible decomposition
                      of sulfur-containing electrolyte additives will be
                      addressed. Sulfur-containing additives represent an
                      attractive option for film-forming additives as these
                      compounds endow lower energies in the lowest unoccupied
                      molecular orbital (LUMO) compared to the organic carbonate
                      analogs and therefore are more susceptible to
                      electrochemical reduction.4 However, these class of
                      electrolyte additives find only a limited use in
                      state-of-the-art electrolyte mixtures due to the often
                      reported or suspected carcinogenicity and toxicity towards
                      the human body. Nevertheless, since sulfur-containing
                      additives still play an important role in spent LIBs of
                      recent decades, identification of these hazardous compounds
                      and formed aging products, which should be also classified
                      as potential dangers, is of great interest.1This
                      contribution focused on the identification of aging products
                      emerging in electrolytes from LIB cells using sulfur-based
                      electrolyte additives of different chemical classes such as
                      sulfates, sulfites, sultones and sulfonates. Ion
                      chromatography and gas chromatography hyphenated to
                      high-resolution acurrate mass spectrometry (HRAM-MS) were
                      used to obtain information on the formation of ionic and
                      volatile compounds after electrochemical operation and to
                      elucidate the corresponding structures. Thus, specific ionic
                      and volatile aging marker molecules could be defined for
                      target-analysis of the original electrolyte additive in LIB
                      material, despite a potentially complete consumption during
                      cycling. This allows improved reverse-engineering of LIB
                      post-mortem analysis and risk assessment. Furthermore,
                      mechanistic conclusions on the decomposition of the
                      investigated electrolyte additives could be drawn, extending
                      literature reports based on X-Ray methods with respect to
                      species information and ultimately contribute to a better
                      understanding of the interphase constitutions.[1] C.
                      Peschel, S. van Wickeren, A. Bloch, C. Lechtenfeld, M.
                      Winter, S. Nowak, Energy Technol.2022, xxx.[2] S. S. Zhang,
                      J. Power Sources2006, 162, 1379–1394.[3] J. Henschel, J.
                      M. Dressler, M. Winter, S. Nowak, Chem. Mater. 2019 31 (24),
                      9970-9976.[4] B. Tong, Z. Song, H. Wan, W. Feng, M. Armand,
                      J. Liu, H. Zhang, Z. Zhou, InfoMat2021, 3, 1364–1392.},
      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},
      doi          = {10.1149/MA2023-012649mtgabs},
      url          = {https://juser.fz-juelich.de/record/1025070},
}