A new structure family of oxide-ion conductors Ca0.8Y2.4Sn0.8O6 discovered by a combined technique of the bond-valence method and experimentsElectronic supplementary information (ESI) available: Information on UV-vis diffuse reflectance spectrum, electrical conductivity under a wet atmosphere, time dependence of the electrical conductivity and TG data of Ca0.8Y2.4Sn0.8O6. See DOI: 10.1039/c8dt01024b

A new structure family of oxide-ion conductors Ca0.8Y2.4Sn0.8O6 discovered by a combined... Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 has been found as a new structure family of oxide-ion conductors. From bond-valence-based energy (BVE) calculations for 147 compositions, which contain tin (Sn) as an essential element, Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 was found to have a low energy barrier for oxide-ion migration. Ca0.8Y2.4Sn0.8O6 was synthesized by the solid-state reaction, and its electrical conductivity and crystal structure were investigated. The total electrical conductivity at various partial oxygen pressures and band gap estimated from the UV-vis spectrum suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy for the oxide-ion conductivity of Ca0.8Y2.4Sn0.8O6 was 1.39(4) eV. Synchrotron X-ray powder diffraction data of Ca0.8Y2.4Sn0.8O6 at 300 and 1273 K were successfully analyzed with the Mg3TeO6-type structure. The BVE calculation using the refined crystal structure of Ca0.8Y2.4Sn0.8O6 at 1273 K strongly suggested three dimensional oxide-ion diffusion. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Dalton Transactions Royal Society of Chemistry

A new structure family of oxide-ion conductors Ca0.8Y2.4Sn0.8O6 discovered by a combined technique of the bond-valence method and experimentsElectronic supplementary information (ESI) available: Information on UV-vis diffuse reflectance spectrum, electrical conductivity under a wet atmosphere, time dependence of the electrical conductivity and TG data of Ca0.8Y2.4Sn0.8O6. See DOI: 10.1039/c8dt01024b

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Publisher
Royal Society of Chemistry
Copyright
This journal is © The Royal Society of Chemistry
ISSN
1477-9226
eISSN
1477-9234
D.O.I.
10.1039/c8dt01024b
Publisher site
See Article on Publisher Site

Abstract

Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 has been found as a new structure family of oxide-ion conductors. From bond-valence-based energy (BVE) calculations for 147 compositions, which contain tin (Sn) as an essential element, Mg3TeO6-type Ca0.8Y2.4Sn0.8O6 was found to have a low energy barrier for oxide-ion migration. Ca0.8Y2.4Sn0.8O6 was synthesized by the solid-state reaction, and its electrical conductivity and crystal structure were investigated. The total electrical conductivity at various partial oxygen pressures and band gap estimated from the UV-vis spectrum suggested that Ca0.8Y2.4Sn0.8O6 is a pure oxide-ion conductor. The activation energy for the oxide-ion conductivity of Ca0.8Y2.4Sn0.8O6 was 1.39(4) eV. Synchrotron X-ray powder diffraction data of Ca0.8Y2.4Sn0.8O6 at 300 and 1273 K were successfully analyzed with the Mg3TeO6-type structure. The BVE calculation using the refined crystal structure of Ca0.8Y2.4Sn0.8O6 at 1273 K strongly suggested three dimensional oxide-ion diffusion.

Journal

Dalton TransactionsRoyal Society of Chemistry

Published: May 23, 2018

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