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Research paper | Open Access

Oxygen vacancy migration and its lattice structural origin in A-site non-stoichiometric bismuth sodium titanate perovskites

Jing Shia( ), Xiao Liub( ), Fangyuan Zhuc, Wenchao Tiana, Yuanhua Xiad, Tangyuan Lie, Rongrong Raob, Tao Zhangf, Laijun Liug( )
Key Laboratory of Electronic Equipment Structure Design (MOE), School of Mechano-Electronic Engineering, Xidian University, Xi'an, 710071, China
School of Materials Science and Engineering, Xi'an University of Science and Technology, Xi'an, 710054, China
Shanghai Synchrotron Radiation Facility, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai, 201204, China
Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang, 621900, China
Frontier Institute of Science and Technology, Xi'an Jiaotong University, Xi'an, 710049, China
College of Science, Xi'an University of Science and Technology, Xi'an, 710054, China
Key Laboratory of Nonferrous Materials and New Processing Technology (MOE), College of Materials Science and Engineering, Guilin University of Technology, Guilin, 541004, China

Peer review under responsibility of The Chinese Ceramic Society.

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Graphical Abstract

Abstract

Off-stoichiometry of perovskite structural Bi0.5Na0.5TiO3 (BNT) ferroelectrics can give rise to considerable oxide-ion conductivity. The inherent structural characteristics are urgent to be resolved due to its particular sensitivity of the conduction mechanism to the nominal composition and synthesis process. Herein, a thorough study of the temperature-dependent neutron, X-ray diffraction and Raman spectrum is carried out on a series of equivalently substituted A-site deficient non-stoichiometric and pristine BNT. Phase transition and defect association are systemically investigated in these dominated rhombohedral phases at room temperature, associated with well saturated ferroelectric states. Significant structural evolution identified by Rietveld refinements and the origin of the electrical performance are clarified at elevated temperatures, focusing on the subtle distortions of ionic displacements, oxygen octahedral tilts and local chemical environments for oxygen vacancies. The ion migration ability mediated by oxygen vacancies that are not energetically favorable in BNT mainly depends on the external substitutional disorder, and is strongly affected by the dopant concentration. Together with the lone pair substitution concept, superior oxide ionic conductivity is achieved, and an alternative strategy is provided in designing BNT based oxide ion conductors.

Keywords

FerroelectricsBismuth sodium titanateOxide ion conductorsNeutron powder diffractionOxygen vacancy

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Journal of Materiomics
Volume 8 Issue 3,
May 2022
Pages 719-729
DOI: 10.1016/j.jmat.2021.09.008
Cite this article:
Shi J, Liu X, Zhu F, et al. Oxygen vacancy migration and its lattice structural origin in A-site non-stoichiometric bismuth sodium titanate perovskites. Journal of Materiomics, 2022, 8(3): 719-729. https://doi.org/10.1016/j.jmat.2021.09.008

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Received: 20 July 2021
Revised: 29 August 2021
Accepted: 28 September 2021
Published: 01 October 2021
© 2021 The Chinese Ceramic Society.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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