Theoretical study on proton diffusivity in Y-doped BaZrO3 with realistic dopant configurations-Reference-Cited by-同舟云学术

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Theoretical study on proton diffusivity in Y-doped BaZrO3 with realistic dopant configurations

Published:2021 Issue:10 Volume:23 Page:5908-5918
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fujii Takeo¹²³⁴,Toyoura Kazuaki¹²³⁴^ORCID,Uda Tetsuya¹²³⁴,Kasamatsu Shusuke⁵⁶⁷⁴^ORCID

Affiliation:

1. Department of Materials Science and Engineering

2. Kyoto University

3. Kyoto 606-8501

4. Japan

5. Academic Assembly (Faculty of Science)

6. Yamagata University

7. Yamagata 990-8560

Abstract

The effect of dopant configurations on the proton diffusivity in yttrium-doped barium zirconate (BZY).

Funder

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06035F

Reference35 articles.

1. Aspects of the formation and mobility of protonic charge carriers and the stability of perovskite-type oxides

2. Protonic conduction in Zr-substituted BaCeO3

3. High Total Proton Conductivity in Large-Grained Yttrium-Doped Barium Zirconate

4. High proton conduction in grain-boundary-free yttrium-doped barium zirconate films grown by pulsed laser deposition

5. Site selectivity of dopants in BaZr1-yMyO3-δ (M = Sc, Y, Sm, Eu, Dy) and measurement of their water contents and conductivities

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3. A kinetic Monte Carlo study for Haven ratio of proton transport in perovskite ceramics;Journal of the Ceramic Society of Japan;2023-10-01

4. Y doping of BaZrO₃ may lead to optimum conditions for proton conduction at operating temperature of solid oxide fuel cells: a first principles study;Materials Research Express;2023-06-01

5. Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Sc-Doped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations;Chemistry of Materials;2023-03-14

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