Influence of hydration and dopant ionic radius on the elastic properties of BaZrO3

Evgeniy Makagon; Rotraut Merkle; Joachim Maier; Igor Lubomirsky

doi:10.1016/j.ssi.2019.115130

Influence of hydration and dopant ionic radius on the elastic properties of BaZrO₃

Evgeniy Makagon, Rotraut Merkle, Joachim Maier, Igor Lubomirsky

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

The influence of point defects (acceptor dopants, oxygen vacancies, protonic defects) on the macroscopic elastic properties of acceptor-doped BaZrO₃ ceramics is investigated. Ultrasonic pulsed echo time of flight measurements are used to study the impact of dopant size, concentration and degree of hydration. Ceramics of BaX_xZr_1-xO_3-x/2+δH_2δ with X = Y, Sc and 0.05 ≤ x ≤ 0.2 were prepared by solid state reactive sintering with NiO sintering aid, added to achieve mechanical robustness sufficient for high-degree (58–71%) hydration without disintegration. Introduction of the dopants causes linear decrease in the Young's and shear moduli. By comparing the rate of decrease upon doping with Y³⁺ and Sc³⁺, the contribution of the lattice expansion was separated from the contribution of vacancy formation. Dissociative water incorporation also decreases the elastic moduli, however, for the case of Sc-doping the effect of hydration on the elastic moduli is much larger. All experimental data agree well with predictions by ab initio calculations.

Original language	English
Article number	115130
Journal	Solid State Ionics
Volume	344
DOIs	https://doi.org/10.1016/j.ssi.2019.115130
State	Published - Jan 2020
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2019 Elsevier B.V.

Funding

We thank Y. Huang (powder preparation), H. Hoier (XRD), crystal preparation group (cutting and polishing of samples), and E. A. Kotomin and M. Hoedl (numerous discussions), all from the Max Planck Institute Stuttgart. This work is funded by the German-Israeli Foundation for Scientific Research and Development (project I-1342-302.5/2016 ). Appendix A We thank Y. Huang (powder preparation), H. Hoier (XRD), crystal preparation group (cutting and polishing of samples), and E. A. Kotomin and M. Hoedl (numerous discussions), all from the Max Planck Institute Stuttgart. This work is funded by the German-Israeli Foundation for Scientific Research and Development (project I-1342-302.5/2016).

Funders	Funder number
Max Planck Institute Stuttgart
German-Israeli Foundation for Scientific Research and Development	I-1342-302.5/2016

Keywords

Acceptor doped BaZrO
Elastic moduli
Hydration
Perovskites
Point defects
Proton-conducting oxides

Access to Document

10.1016/j.ssi.2019.115130

Cite this

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title = "Influence of hydration and dopant ionic radius on the elastic properties of BaZrO3 ",

abstract = "The influence of point defects (acceptor dopants, oxygen vacancies, protonic defects) on the macroscopic elastic properties of acceptor-doped BaZrO3 ceramics is investigated. Ultrasonic pulsed echo time of flight measurements are used to study the impact of dopant size, concentration and degree of hydration. Ceramics of BaXxZr1-xO3-x/2+δH2δ with X = Y, Sc and 0.05 ≤ x ≤ 0.2 were prepared by solid state reactive sintering with NiO sintering aid, added to achieve mechanical robustness sufficient for high-degree (58–71%) hydration without disintegration. Introduction of the dopants causes linear decrease in the Young's and shear moduli. By comparing the rate of decrease upon doping with Y3+ and Sc3+, the contribution of the lattice expansion was separated from the contribution of vacancy formation. Dissociative water incorporation also decreases the elastic moduli, however, for the case of Sc-doping the effect of hydration on the elastic moduli is much larger. All experimental data agree well with predictions by ab initio calculations.",

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N2 - The influence of point defects (acceptor dopants, oxygen vacancies, protonic defects) on the macroscopic elastic properties of acceptor-doped BaZrO3 ceramics is investigated. Ultrasonic pulsed echo time of flight measurements are used to study the impact of dopant size, concentration and degree of hydration. Ceramics of BaXxZr1-xO3-x/2+δH2δ with X = Y, Sc and 0.05 ≤ x ≤ 0.2 were prepared by solid state reactive sintering with NiO sintering aid, added to achieve mechanical robustness sufficient for high-degree (58–71%) hydration without disintegration. Introduction of the dopants causes linear decrease in the Young's and shear moduli. By comparing the rate of decrease upon doping with Y3+ and Sc3+, the contribution of the lattice expansion was separated from the contribution of vacancy formation. Dissociative water incorporation also decreases the elastic moduli, however, for the case of Sc-doping the effect of hydration on the elastic moduli is much larger. All experimental data agree well with predictions by ab initio calculations.

AB - The influence of point defects (acceptor dopants, oxygen vacancies, protonic defects) on the macroscopic elastic properties of acceptor-doped BaZrO3 ceramics is investigated. Ultrasonic pulsed echo time of flight measurements are used to study the impact of dopant size, concentration and degree of hydration. Ceramics of BaXxZr1-xO3-x/2+δH2δ with X = Y, Sc and 0.05 ≤ x ≤ 0.2 were prepared by solid state reactive sintering with NiO sintering aid, added to achieve mechanical robustness sufficient for high-degree (58–71%) hydration without disintegration. Introduction of the dopants causes linear decrease in the Young's and shear moduli. By comparing the rate of decrease upon doping with Y3+ and Sc3+, the contribution of the lattice expansion was separated from the contribution of vacancy formation. Dissociative water incorporation also decreases the elastic moduli, however, for the case of Sc-doping the effect of hydration on the elastic moduli is much larger. All experimental data agree well with predictions by ab initio calculations.

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