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@ARTICLE{Maus:1044974,
author = {Maus, Oliver and Samanta, Bibek and Schreiner, Florian and
Strotmann, Kyra and Lange, Martin Alexander and Kraft,
Marvin and Hartmann, Matthias and Jalarvo, Niina and Hansen,
Michael Ryan and Zeier, Wolfgang},
title = {{C}onnecting {L}ocal {S}tructure, {S}train and {I}onic
{T}ransport in the {F}ast {S}odium {I}on {C}onductor
${N}a_{11+x}{S}n_{2+x}{P}_{1− x}{S}_{12}$},
journal = {Advanced energy materials},
volume = {15},
number = {35},
issn = {1614-6832},
address = {Weinheim},
publisher = {Wiley-VCH},
reportid = {FZJ-2025-03464},
pages = {2500861},
year = {2025},
abstract = {On the road to highly performing solid electrolytes for
solid state batteries, aliovalent substitution is a powerful
strategy to improve the ionic conductivity. While the
substitution allows optimization of the charge carrier
concentration, effects on the local structure are often
overlooked. Here, by pair distribution function analyses is
shown that partial substitution of $PS_4^{4−}$ by
$SnS_4^{4−}$ polyanion in the fast sodium ionic conductor
$Na_{11+x}Sn_{2+x}P_{1−x}S_{12}$ results in discrepancies
between the local and average structure. The significantly
larger $SnS_4^{4−}$ polyanions lead to inhomogeneities in
the local environments of sodium ions and induce micro
strain in the material. The combination of nuclear magnetic
resonance spectroscopy and quasi-elastic neutron scattering
reveals a decrease in the activation energy of fast local
ionic jumps. The substitution widens the bottleneck size of
some diffusion pathways, and a correlation between the
increased strain and improved local ionic transport is
observed. Local frustrations caused by the induced
inhomogeneities may flatten the energy landscape and lead to
the detected decrease in the activation barrier.
Understanding these effects of cationic substitution on the
local structure, induced crystallographic strain and ionic
transport can open up new possibilities to design fast
conducting solid electrolytes.},
cin = {IMD-4},
ddc = {050},
cid = {I:(DE-Juel1)IMD-4-20141217},
pnm = {1221 - Fundamentals and Materials (POF4-122)},
pid = {G:(DE-HGF)POF4-1221},
typ = {PUB:(DE-HGF)16},
UT = {WOS:001523567800001},
doi = {10.1002/aenm.202500861},
url = {https://juser.fz-juelich.de/record/1044974},
}