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@ARTICLE{Huang:903989,
      author       = {Huang, Chen-Jui and Cheng, Ju-Hsiang and Su, Wei-Nien and
                      Partovi-Azar, Pouya and Kuo, Liang-Yin and Tsai, Meng-Che
                      and Lin, Ming-Hsien and Panahian Jand, Sara and Chan,
                      Ting-Shan and Wu, Nae-Lih and Kaghazchi, Payam and Dai,
                      Hongjie and Bieker, Peter Maria and Hwang, Bing-Joe},
      title        = {{O}rigin of shuttle-free sulfurized polyacrylonitrile in
                      lithium-sulfur batteries},
      journal      = {Journal of power sources},
      volume       = {492},
      issn         = {0378-7753},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2021-05559},
      pages        = {229508 -},
      year         = {2021},
      note         = {Kein Post-print vorhanden.},
      abstract     = {Sulfurized polyacrylonitrile (S-cPAN) shows an intrinsic
                      shuttle-free capability during cycling with high reversible
                      capacity, making it a promising material for lithium-sulfur
                      (Li–S) battery. However, the lithiation/delithiation
                      mechanism of S-cPAN is still debatable and unclear. In this
                      work, the fundamental reaction mechanism of S-cPAN cathode
                      material is unveiled by in-situ Raman and in-situ X-ray
                      absorption (XAS) spectroscopies. Together with density
                      functional theory calculation, the formation of -N-Sx-N- (x
                      < 4) bridges besides C–S- and –S-S- bonds during the
                      synthesis process is proposed. These sulfur-nitrogen bonds
                      and their strong interactions in the S-cPAN compounds are
                      first observed to account for the proposed solid-solid
                      transformation during the lithiation/delithiation of S-cPAN.
                      Surprisingly, the cPAN backbone is also found to be involved
                      in the charge compensation while the ordered Li2S along the
                      nitrogen edge on the PAN matrix is suggested to form when
                      S-cPAN is fully lithiated. The proposed modified mechanism
                      deciphers the outstanding electrochemical performance of
                      S-cPAN, providing a new pathway for designing high capacity,
                      shuttle-free cathode materials for next-generation Li–S
                      batteries, and a new perspective of sulfur chemistry.},
      cin          = {IEK-1},
      ddc          = {620},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000635068900002},
      doi          = {10.1016/j.jpowsour.2021.229508},
      url          = {https://juser.fz-juelich.de/record/903989},
}