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@ARTICLE{Weyman:843720,
author = {Weyman, Alexander and Bier, Markus and Holm, Christian and
Smiatek, Jens},
title = {{M}icrophase separation and the formation of ion
conductivity channels in poly(ionic liquid)s: {A}
coarse-grained molecular dynamics study},
journal = {The journal of chemical physics},
volume = {148},
number = {19},
issn = {0021-9606},
address = {Melville, NY},
publisher = {American Institute of Physics},
reportid = {FZJ-2018-01272},
pages = {193824 -},
year = {2018},
abstract = {We study generic properties of poly(ionic liquid)s (PILs)
via coarse-grained molecular dynamics simulations in bulk
solution and under confinement. The influence of different
side chain lengths on the spatial properties of the PIL
systems and on the ionic transport mechanism is investigated
in detail. Our results reveal the formation of apolar and
polar nanodomains with increasing side chain length in good
agreement with previous results for molecular ionic liquids.
The ion transport numbers are unaffected by the occurrence
of these domains, and the corresponding values highlight the
potential role of PILs as single-ion conductors in
electrochemical devices. In contrast to bulk behavior, a
pronounced formation of ion conductivity channels in
confined systems is initiated in close vicinity to the
boundaries. We observe higher ion conductivities in these
channels for increasing PIL side chain lengths in comparison
with bulk values and provide an explanation for this effect.
The appearance of these domains points to an improved
application of PILs in modern polymer electrolyte
batteries.},
cin = {IEK-12},
ddc = {540},
cid = {I:(DE-Juel1)IEK-12-20141217},
pnm = {131 - Electrochemical Storage (POF3-131)},
pid = {G:(DE-HGF)POF3-131},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000432853800028},
pubmed = {pmid:30307256},
doi = {10.1063/1.5016814},
url = {https://juser.fz-juelich.de/record/843720},
}