High oxide-ion conductivity through the interstitial oxygen site in Ba7Nb4MoO20-based hexagonal perovskite related oxides

Masatomo Yashima (), Takafumi Tsujiguchi, Yuichi Sakuda, Yuta Yasui, Yu Zhou, Kotaro Fujii, Shuki Torii, Takashi Kamiyama and Stephen J. Skinner
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Masatomo Yashima: Tokyo Institute of Technology
Takafumi Tsujiguchi: Tokyo Institute of Technology
Yuichi Sakuda: Tokyo Institute of Technology
Yuta Yasui: Tokyo Institute of Technology
Yu Zhou: Department of Materials, Imperial College London
Kotaro Fujii: Tokyo Institute of Technology
Shuki Torii: Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
Takashi Kamiyama: Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
Stephen J. Skinner: Department of Materials, Imperial College London

Nature Communications, 2021, vol. 12, issue 1, 1-7

Abstract: Abstract Oxide-ion conductors are important in various applications such as solid-oxide fuel cells. Although zirconia-based materials are widely utilized, there remains a strong motivation to discover electrolyte materials with higher conductivity that lowers the working temperature of fuel cells, reducing cost. Oxide-ion conductors with hexagonal perovskite related structures are rare. Herein, we report oxide-ion conductors based on a hexagonal perovskite-related oxide Ba7Nb4MoO20. Ba7Nb3.9Mo1.1O20.05 shows a wide stability range and predominantly oxide-ion conduction in an oxygen partial pressure range from 2 × 10−26 to 1 atm at 600 °C. Surprisingly, bulk conductivity of Ba7Nb3.9Mo1.1O20.05, 5.8 × 10−4 S cm−1, is remarkably high at 310 °C, and higher than Bi2O3- and zirconia-based materials. The high conductivity of Ba7Nb3.9Mo1.1O20.05 is attributable to the interstitial-O5 oxygen site, providing two-dimensional oxide-ion O1−O5 interstitialcy diffusion through lattice-O1 and interstitial-O5 sites in the oxygen-deficient layer, and low activation energy for oxide-ion conductivity. Present findings demonstrate the ability of hexagonal perovskite related oxides as superior oxide-ion conductors.

Date: 2021
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DOI: 10.1038/s41467-020-20859-w

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