Unknown

Dataset Information

0

Kinetically Stabilized Cation Arrangement in Li3 YCl6 Superionic Conductor during Solid-State Reaction.


ABSTRACT: The main approach for exploring metastable materials is via trial-and-error synthesis, and there is limited understanding of how metastable materials are kinetically stabilized. In this study, a metastable phase superionic conductor, β-Li3 YCl6 , is discovered through in situ X-ray diffraction after heating a mixture of LiCl and YCl3 powders. While Cl- arrangement is represented as a hexagonal close packed structure in both metastable β-Li3 YCl6 synthesized below 600 K and stable α-Li3 YCl6 above 600 K, the arrangement of Li+ and Y3+ in β-Li3 YCl6 determined by neutron diffraction brought about the cell with a 1/√3 a-axis and a similar c-axis of stable α-Li3 YCl6 . Higher Li+ ion conductivity and lower activation energy for Li+ transport are observed in comparison with α-Li3 YCl6 . The computationally calculated low migration barrier of Li+ supports the low activation energy for Li+ conduction, and the calculated high migration barrier of Y3+ kinetically stabilizes this metastable phase by impeding phase transformation to α-Li3 YCl6 . This work shows that the combination of in situ observation of solid-state reactions and computation of the migration energy can facilitate the comprehension of the solid-state reactions allowing kinetic stabilization of metastable materials, and can enable the discovery of new metastable materials in a short time.

SUBMITTER: Ito H 

PROVIDER: S-EPMC8336504 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature

altmetric image

Publications

Kinetically Stabilized Cation Arrangement in Li<sub>3</sub> YCl<sub>6</sub> Superionic Conductor during Solid-State Reaction.

Ito Hiroaki H   Shitara Kazuki K   Wang Yongming Y   Fujii Kotaro K   Yashima Masatomo M   Goto Yosuke Y   Moriyoshi Chikako C   Rosero-Navarro Nataly Carolina NC   Miura Akira A   Tadanaga Kiyoharu K  

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20210617 15


The main approach for exploring metastable materials is via trial-and-error synthesis, and there is limited understanding of how metastable materials are kinetically stabilized. In this study, a metastable phase superionic conductor, β-Li<sub>3</sub> YCl<sub>6</sub> , is discovered through in situ X-ray diffraction after heating a mixture of LiCl and YCl<sub>3</sub> powders. While Cl<sup>-</sup> arrangement is represented as a hexagonal close packed structure in both metastable β-Li<sub>3</sub>  ...[more]

Similar Datasets

| S-EPMC5067573 | biostudies-literature
| S-EPMC10401185 | biostudies-literature
| S-EPMC6850061 | biostudies-literature
| S-EPMC8016198 | biostudies-literature
| S-EPMC11360135 | biostudies-literature
| S-EPMC11310194 | biostudies-literature
| S-EPMC9753599 | biostudies-literature
| S-EPMC11837894 | biostudies-literature
| S-EPMC9980382 | biostudies-literature
| S-EPMC11362563 | biostudies-literature