Competing Structural Influences in the Li Superionic
Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution
Posted on 2018-10-19 - 22:08
Lithium-ion conducting
argyrodites have recently attracted significant
interest as solid electrolytes for solid-state battery applications.
In order to enhance the utility of materials in this class, a deeper
understanding of the fundamental structure–property relationships
is still required. Using Rietveld refinements of X-ray diffraction
data and pair distribution function analysis of neutron diffraction
data, coupled with electrochemical impedance spectroscopy and speed
of sound measurements, the structure and transport properties within
Li6PS5–xSexBr (0 ≤ x ≤ 1) have been monitored with increasing Se content. While
it has been previously suggested that the incorporation of larger,
more polarizable anions within the argyrodite lattice should lead
to enhancements in the ionic conductivity, the Li6PS5–xSexBr transport behavior was found to be largely unaffected
by the incorporation of Se2– due to significant
structural modifications to the anion sublattice. This work affirms
the notion that, when optimizing the ionic conductivity of solid ion
conductors, local structural influences cannot be ignored and the
idea of “the softer the lattice, the better” does not
always hold true.
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Bernges, Tim; Culver, Sean P.; Minafra, Nicolò; Koerver, Raimund; Zeier, Wolfgang G. (2018). Competing Structural Influences in the Li Superionic
Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution. ACS Publications. Collection. https://doi.org/10.1021/acs.inorgchem.8b02443
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AUTHORS (5)
TB
Tim Bernges
SC
Sean P. Culver
NM
Nicolò Minafra
RK
Raimund Koerver
WZ
Wolfgang G. Zeier
KEYWORDS
argyrodite latticeelectrochemical impedance spectroscopyBrpolarizable anionsRietveld refinementsanion sublatticePSbattery applicationsion conductorsSe contentneutron diffraction datasound measurementspair distribution function analysisX-ray diffraction dataSe Substitution Lithium-ionStructural Influencestransport properties