Citation: Wei Wang, Guohong Cai, Guanqun Cai, Junliang Sun, Man-Rong Li. Designing oxide-ion conductor in superstructural barium tellurate[J]. Chinese Chemical Letters, ;2026, 37(6): 111046. doi: 10.1016/j.cclet.2025.111046 shu

Designing oxide-ion conductor in superstructural barium tellurate

Wei Wang ^{a, 1} ,
Guohong Cai ^{b, 1} ,
Guanqun Cai ^{c, *,} ,
Junliang Sun ^{b, *,} ,
Man-Rong Li ^{a, *,}

a.
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, China
b.
College of Chemistry and Molecular Engineering, Beijing National Laboratory for Molecular Sciences, Peking University, Beijing 100871, China
c.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China

guanqun_cai@scu.edu.cn

junliang.sun@pku.edu.cn

limanrong@hainanu.edu.cn

Received Date: 22 January 2025
Revised Date: 26 February 2025
Accepted Date: 5 March 2025
Available Online: 7 March 2025

Figures(4)

Searching for new oxide-ion conductors is of great significance in energy-related technologies. Here we identified a novel barium tellurate, Ba_10.55Te_4.45O_23.90, by chemical screening for superstructural oxide-ion conductors. Its crystal structure, solved from polycrystalline specimen by the combination of three-dimension electron diffraction, X-ray diffraction, and neutron diffraction, adopts a quadruple (4 × 4 × 4) cubic superstructure (Fm-3m, a = 17.30612(2) Å) and can be regarded as a derivative of ABO₃ perovskite like (Ba_1.75□_0.25)^ABa^BW^B^'O_5.75□_0.25. The ordered A-site metal vacancies and disordered oxygen vacancies are responsible for the enlarged superstructure. The titled compound is indeed an oxide-ion conductor but shows rather low ionic conductivity, owing to the high inter-polyhedral energy barrier of ionic migration. The discoveries unveil a new structural type for oxide-ion conductor exploration, and will evoke performance improvement by chemical modification such as aliovalent substitution.
- Oxide-ion conductor,
- Electron diffraction,
- Superstructure,
- Oxide defect,
- Ion-migration mechanism
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