Investigating the Li+ substructure and ionic transport in Li10GeP2−xSbxS12 (0 ≤ x ≤ 0.25)

Bianca Helm; Lara M. Gronych; Ananya Banik; Martin A. Lange; Cheng Li; Wolfgang G. Zeier

doi:10.1039/d2cp04710a

Investigating the Li⁺ substructure and ionic transport in Li₁₀GeP_2−xSb_xS₁₂ (0 ≤ x ≤ 0.25)

Bianca Helm, Lara M. Gronych, Ananya Banik, Martin A. Lange, Cheng Li, Wolfgang G. Zeier

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Abstract

Understanding the correlation between ionic motion and crystal structure is crucial for improving solid electrolyte conductivities. Several substitution series in the Li₁₀GeP₂S₁₂ structure have shown a favorable impact on the ionic conductivity, e.g. the replacement of P(+V) by Sb(+V) in Li₁₀GeP₂S₁₂. However, here the interplay between the structure and ionic motion remains elusive. X-Ray diffraction, high-resolution neutron diffraction, Raman spectroscopy and potentionstatic impedance spectroscopy are employed to explore the impact of Sb(+V) on the Li₁₀GeP₂S₁₂ structure. The introduction of antimony elongates the unit cell in the c-direction and increases the M(1)/P(1) and Li(2) polyhedral volume. Over the solid solution range, the Li⁺ distribution remains similar, an inductive effect seems to be absent and the ionic conductivity is comparable for all compositions. The effect of introducing Sb(+V) in Li₁₀GeP₂S₁₂ cannot be corroborated.

Original language	English
Journal	Physical Chemistry Chemical Physics
DOIs	https://doi.org/10.1039/d2cp04710a
State	Accepted/In press - 2022

Funding

The research was supported by the Deutsche Forschungsgemeinschaft (DFG) under grant number ZE 1010/13-1. A portion of this research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.

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10.1039/d2cp04710a

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title = "Investigating the Li+ substructure and ionic transport in Li10GeP2−xSbxS12 (0 ≤ x ≤ 0.25)",

abstract = "Understanding the correlation between ionic motion and crystal structure is crucial for improving solid electrolyte conductivities. Several substitution series in the Li10GeP2S12 structure have shown a favorable impact on the ionic conductivity, e.g. the replacement of P(+V) by Sb(+V) in Li10GeP2S12. However, here the interplay between the structure and ionic motion remains elusive. X-Ray diffraction, high-resolution neutron diffraction, Raman spectroscopy and potentionstatic impedance spectroscopy are employed to explore the impact of Sb(+V) on the Li10GeP2S12 structure. The introduction of antimony elongates the unit cell in the c-direction and increases the M(1)/P(1) and Li(2) polyhedral volume. Over the solid solution range, the Li+ distribution remains similar, an inductive effect seems to be absent and the ionic conductivity is comparable for all compositions. The effect of introducing Sb(+V) in Li10GeP2S12 cannot be corroborated.",

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T1 - Investigating the Li+ substructure and ionic transport in Li10GeP2−xSbxS12 (0 ≤ x ≤ 0.25)

AU - Helm, Bianca

AU - Gronych, Lara M.

AU - Banik, Ananya

AU - Lange, Martin A.

AU - Li, Cheng

AU - Zeier, Wolfgang G.

PY - 2022

Y1 - 2022

N2 - Understanding the correlation between ionic motion and crystal structure is crucial for improving solid electrolyte conductivities. Several substitution series in the Li10GeP2S12 structure have shown a favorable impact on the ionic conductivity, e.g. the replacement of P(+V) by Sb(+V) in Li10GeP2S12. However, here the interplay between the structure and ionic motion remains elusive. X-Ray diffraction, high-resolution neutron diffraction, Raman spectroscopy and potentionstatic impedance spectroscopy are employed to explore the impact of Sb(+V) on the Li10GeP2S12 structure. The introduction of antimony elongates the unit cell in the c-direction and increases the M(1)/P(1) and Li(2) polyhedral volume. Over the solid solution range, the Li+ distribution remains similar, an inductive effect seems to be absent and the ionic conductivity is comparable for all compositions. The effect of introducing Sb(+V) in Li10GeP2S12 cannot be corroborated.

AB - Understanding the correlation between ionic motion and crystal structure is crucial for improving solid electrolyte conductivities. Several substitution series in the Li10GeP2S12 structure have shown a favorable impact on the ionic conductivity, e.g. the replacement of P(+V) by Sb(+V) in Li10GeP2S12. However, here the interplay between the structure and ionic motion remains elusive. X-Ray diffraction, high-resolution neutron diffraction, Raman spectroscopy and potentionstatic impedance spectroscopy are employed to explore the impact of Sb(+V) on the Li10GeP2S12 structure. The introduction of antimony elongates the unit cell in the c-direction and increases the M(1)/P(1) and Li(2) polyhedral volume. Over the solid solution range, the Li+ distribution remains similar, an inductive effect seems to be absent and the ionic conductivity is comparable for all compositions. The effect of introducing Sb(+V) in Li10GeP2S12 cannot be corroborated.

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Investigating the Li⁺ substructure and ionic transport in Li₁₀GeP_2−xSb_xS₁₂ (0 ≤ x ≤ 0.25)

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