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@ARTICLE{Zhang:276071,
      author       = {Zhang, Zhe and Ohl, Michael and Diallo, Souleymane O. and
                      Jalarvo, Niina and Hong, Kunlun and Han, Youngkyu and Smith,
                      Gregory S. and Do, Changwoo},
      title        = {{D}ynamics of {W}ater {A}ssociated with {L}ithium {I}ons
                      {D}istributed in {P}olyethylene {O}xid},
      journal      = {Physical review letters},
      volume       = {115},
      number       = {19},
      issn         = {1079-7114},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2015-06557},
      pages        = {198301},
      year         = {2015},
      abstract     = {The dynamics of water in polyethylene oxide (PEO)/LiCl
                      solution has been studied with quasielastic neutron
                      scattering experiments and molecular dynamics (MD)
                      simulations. Two different time scales of water diffusion
                      representing interfacial water and bulk water dynamics have
                      been identified. The measured diffusion coefficient of
                      interfacial water remained 5–10 times smaller than that of
                      bulk water, but both were slowed by approximately $50\%$ in
                      the presence of Li+. Detailed analysis of MD trajectories
                      suggests that Li+ is favorably found at the surface of the
                      hydration layer, and the probability to find the caged Li+
                      configuration formed by the PEO is lower than for the
                      noncaged Li+−PEO configuration. In both configurations,
                      however, the slowing down of water molecules is driven by
                      reorienting water molecules and creating water-Li+ hydration
                      complexes. Performing the MD simulation with different ions
                      (Na+ and K+) revealed that smaller ionic radius of the ions
                      is a key factor in disrupting the formation of PEO cages by
                      allowing spaces for water molecules to come in between the
                      ion and PEO.},
      cin          = {ICS-1 / Neutronenstreuung ; JCNS-1 / JCNS-SNS},
      ddc          = {550},
      cid          = {I:(DE-Juel1)ICS-1-20110106 / I:(DE-Juel1)JCNS-1-20110106 /
                      I:(DE-Juel1)JCNS-SNS-20110128},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551) /
                      6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6215 - Soft Matter, Health and Life Sciences (POF3-621)},
      pid          = {G:(DE-HGF)POF3-551 / G:(DE-HGF)POF3-6G4 /
                      G:(DE-HGF)POF3-6215},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000364024000012},
      doi          = {10.1103/PhysRevLett.115.198301},
      url          = {https://juser.fz-juelich.de/record/276071},
}