Pressure-induced ionic to mixed ionic and electronic conduction transition in solid electrolyte LaF3

文献情報

出版日 2020-10-27

DOI 10.1039/D0CP03579C

インパクトファクター 3.676

著者

Yalan Yan, Hao Liu, Guozhao Zhang, Shuang Tong, Chunxiao Gao, Yonghao Han

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要旨

The ionic transport properties of solid electrolyte LaF3 were systematically studied under high pressures up to 30.6 GPa with alternate-current impedance spectra measurements and first-principles calculations. From the impedance spectra measurements, LaF3 was found to transform from pure ionic conduction to mixed ionic and electronic conduction at 15.0 GPa, which results from the pressure-induced structural phase transition from a tysonite-type structure to an anti-Cu3Ti-type structure. F− ion migration can be suppressed by pressure, causing a decrease of the ionic conductivity of LaF3. By first-principles calculations, the pressure-dependent diffusion behaviors of the F− ions can be understood. The increased overlap of electron clouds at the interstitial site between rigid La3+ and liquid F− lattices leads to the appearance of electronic conduction in anti-Cu3Ti-type structured LaF3.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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