Inorganic Chemistry, volume 57, issue 21, pages 13920-13928

Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution

Tim Bernges ^{1, 2}

Sean P Culver ^{1, 2}

Nicoló Minafra ^{1, 2}

Raimund Koerver ^{1, 2}

Wolfgang G. Zeier ^{1, 2}

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Institute of Physical Chemistry, Justus-Liebig-University Giessen, Heinrich-Buff-Ring 17, D-35392 Giessen, Germany |

Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Heinrich-Buff-Ring 16, D-35392 Giessen, Germany |

Publication type: Journal Article

Publication date: 2018-10-22

American Chemical Society (ACS)

Journal: Inorganic Chemistry

Quartile SCImago

Quartile WOS

Impact factor: 4.6

ISSN: 00201669, 1520510X

DOI: 10.1021/acs.inorgchem.8b02443

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Inorganic Chemistry

Physical and Theoretical Chemistry

Abstract

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- xSe xBr (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- xSe xBr 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 T. et al. Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution // Inorganic Chemistry. 2018. Vol. 57. No. 21. pp. 13920-13928.

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Bernges T., Culver S. P., Minafra N., Koerver R., Zeier W. G. Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution // Inorganic Chemistry. 2018. Vol. 57. No. 21. pp. 13920-13928.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.inorgchem.8b02443

UR - https://doi.org/10.1021/acs.inorgchem.8b02443

TI - Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution

T2 - Inorganic Chemistry

AU - Bernges, Tim

AU - Minafra, Nicoló

AU - Koerver, Raimund

AU - Zeier, Wolfgang G.

AU - Culver, Sean P

PY - 2018

DA - 2018/10/22 00:00:00

PB - American Chemical Society (ACS)

SP - 13920-13928

IS - 21

VL - 57

SN - 0020-1669

SN - 1520-510X

ER -

BibTex |

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BibTex Copy

@article{2018_Bernges,

author = {Tim Bernges and Nicoló Minafra and Raimund Koerver and Wolfgang G. Zeier and Sean P Culver},

title = {Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution},

journal = {Inorganic Chemistry},

year = {2018},

volume = {57},

publisher = {American Chemical Society (ACS)},

month = {oct},

url = {https://doi.org/10.1021/acs.inorgchem.8b02443},

number = {21},

pages = {13920--13928},

doi = {10.1021/acs.inorgchem.8b02443}

}

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Bernges, Tim, et al. “Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5–xSexBr (0 ≤ x ≤ 1) upon Se Substitution.” Inorganic Chemistry, vol. 57, no. 21, Oct. 2018, pp. 13920-13928. https://doi.org/10.1021/acs.inorgchem.8b02443.

Found error?

Publisher

American Chemical Society (ACS)

Journal

Inorganic Chemistry

Quartile SCImago

Quartile WOS

Impact factor

4.6

ISSN

00201669 (Print)
1520510X (Electronic)

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Zeier, Wolfgang G