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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},
}