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Journal of Advanced Ceramics 2024, 13(2): 247-254 https://doi.org/10.26599/JAC.2024.9220848
Research Article | Open Access | Issue | Published: 01 February 2024

Effects of oxygen vacancy on bond ionicity, lattice energy, and microwave dielectric properties of CeO2 ceramics with Yb3+ substitution

Show Author's Information Mingan Shi1,  Shuyang Ma1,  Wangsuo Xia1( ),  Ying Wang1( ),  Jinzi Yu1,  Haitao Wu2( )
School of Materials Science and Physics, China University of Mining and Technology, Xuzhou 221008, China
School of Environment and Material Engineering, Yantai University, Yantai 264005, China
Keywords:
oxygen vacancy, structure stability, bond ionicity, electronic localization function (ELF)
Cite this article:
Shi M, Ma S, Xia W, et al. Effects of oxygen vacancy on bond ionicity, lattice energy, and microwave dielectric properties of CeO2 ceramics with Yb3+ substitution. Journal of Advanced Ceramics, 2024, 13(2): 247-254. https://doi.org/10.26599/JAC.2024.9220848
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Abstract Full text About this article

Novel YbxCe1−xO2−0.5x (x = 0–0.8) ceramics, designed by replacing Ce4+ with Yb3+ ions were prepared by conventional oxide reaction, and the structural stability of the cubic fluorite structure was assessed using lattice energy and ionic properties of Ce/Yb–O bonds. The oxygen vacancy caused by unequal substitution, which played a decisive role in bond ionicity and lattice energy, was analyzed experimentally by XPS and also theoretically by first principles. The YbxCe1−xO2−0.5x ceramics maintain a stable cubic fluorite structure when x ≤ 0.47, corresponding to the minimum lattice energy of 4142 kJ/mol with the lowest ionicity as ƒi = 87.57%. For microwave dielectric properties, when the YbxCe1−xO2−0.5x (x = 0–0.4) ceramics are pure phase, the porosity-corrected permittivity is dependent on the bond ionicity. The Q׃ values are related to the lattice energy and grain distribution. The temperature coefficient of resonance frequency has been analyzed using bond valence. When the YbxCe1−xO2−0.5x (x = 0.5–0.8) ceramics are multiple phases, the microwave dielectric properties are associated with the phase composition and grain growth.


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About this article

Effects of oxygen vacancy on bond ionicity, lattice energy, and microwave dielectric properties of CeO2 ceramics with Yb3+ substitution

Show Author's information Mingan Shi1, Shuyang Ma1, Wangsuo Xia1( ), Ying Wang1( ), Jinzi Yu1, Haitao Wu2( )
School of Materials Science and Physics, China University of Mining and Technology, Xuzhou 221008, China
School of Environment and Material Engineering, Yantai University, Yantai 264005, China

Abstract

Novel YbxCe1−xO2−0.5x (x = 0–0.8) ceramics, designed by replacing Ce4+ with Yb3+ ions were prepared by conventional oxide reaction, and the structural stability of the cubic fluorite structure was assessed using lattice energy and ionic properties of Ce/Yb–O bonds. The oxygen vacancy caused by unequal substitution, which played a decisive role in bond ionicity and lattice energy, was analyzed experimentally by XPS and also theoretically by first principles. The YbxCe1−xO2−0.5x ceramics maintain a stable cubic fluorite structure when x ≤ 0.47, corresponding to the minimum lattice energy of 4142 kJ/mol with the lowest ionicity as ƒi = 87.57%. For microwave dielectric properties, when the YbxCe1−xO2−0.5x (x = 0–0.4) ceramics are pure phase, the porosity-corrected permittivity is dependent on the bond ionicity. The Q׃ values are related to the lattice energy and grain distribution. The temperature coefficient of resonance frequency has been analyzed using bond valence. When the YbxCe1−xO2−0.5x (x = 0.5–0.8) ceramics are multiple phases, the microwave dielectric properties are associated with the phase composition and grain growth.

Keywords: oxygen vacancy, structure stability, bond ionicity, electronic localization function (ELF)

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Publication history
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Publication history

Received: 25 September 2023
Revised: 19 December 2023
Accepted: 22 December 2023
Published: 01 February 2024
Issue date: February 2024

Copyright

© The Author(s) 2024.

Acknowledgements

Acknowledgements

This work is supported by the projects from the Fundamental Research Funds for the Central Universities (Grant No. 2020ZDPYMS12).

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This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0, http://creativecommons.org/licenses/by/4.0/).

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