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@ARTICLE{Borzutzki:888537,
      author       = {Borzutzki, Kristina and Dong, Dengpan and Wölke, Christian
                      and Kruteva, Margarita and Stellhorn, Annika and Winter,
                      Martin and Bedrov, Dmitry and Brunklaus, Gunther},
      title        = {{S}mall {G}roups, {B}ig {I}mpact: {E}liminating {L}i+
                      {T}raps in {S}ingle-{I}on {C}onducting {P}olymer
                      {E}lectrolytes},
      journal      = {iScience},
      volume       = {23},
      number       = {8},
      issn         = {2589-0042},
      address      = {St. Louis},
      publisher    = {Elsevier},
      reportid     = {FZJ-2020-05001},
      pages        = {101417 -},
      year         = {2020},
      abstract     = {Single-ion conducting polymer electrolytes exhibit great
                      potential for next-generation high-energy-density Li metal
                      batteries, although the lack of sufficient molecular-scale
                      insights into lithium transport mechanisms and reliable
                      understanding of key correlations often limit the scope of
                      modification and design of new materials. Moreover, the
                      sensitivity to small variations of polymer chemical
                      structures (e.g., selection of specific linkages or chemical
                      groups) is often overlooked as potential design parameter.
                      In this study, combined molecular dynamics simulations and
                      experimental investigations reveal molecular-scale
                      correlations among variations in polymer structures and Li+
                      transport capabilities. Based on polyamide-based single-ion
                      conducting quasi-solid polymer electrolytes, it is
                      demonstrated that small modifications of the polymer
                      backbone significantly enhance the Li+ transport while
                      governing the resulting membrane morphology. Based on the
                      obtained insights, tailored materials with significantly
                      improved ionic conductivity and excellent electrochemical
                      performance are achieved and their applicability in LFP||Li
                      and NMC||Li cells is successfully demonstrated.},
      cin          = {JCNS-1 / IBI-8 / PGI-4 / JCNS-2 / IEK-12},
      ddc          = {050},
      cid          = {I:(DE-Juel1)JCNS-1-20110106 / I:(DE-Juel1)IBI-8-20200312 /
                      I:(DE-Juel1)PGI-4-20110106 / I:(DE-Juel1)JCNS-2-20110106 /
                      I:(DE-Juel1)IEK-12-20141217},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6215 - Soft Matter, Health and Life Sciences (POF3-621) /
                      551 - Functional Macromolecules and Complexes (POF3-551)},
      pid          = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6215 /
                      G:(DE-HGF)POF3-551},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {WOS:000571001700002},
      UT           = {WOS:000571001700002},
      doi          = {10.1016/j.isci.2020.101417},
      url          = {https://juser.fz-juelich.de/record/888537},
}