Unraveling the atomic-scale mechanisms of hydrogen defects behavior in yttria-stabilized tetragonal zirconia by first principles calculation

Unraveling the atomic-scale mechanisms of hydrogen defects behavior in yttria-stabilized tetragonal zirconia by first principles calculation

In hydrogen-fueled gas turbines, protons are more likely to penetrate the ceramic layer of thermal barrier coating (TBC) system and eventually reach the metallic bond coat. The knowledge about the atomic mechanism of proton migration in the ceramic layer of TBCs is important to evaluate the feasibil...

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Bibliographic Details
Main Authors: Baoshuai Liu, Juanli Zhao, Kaili Chu, Yuchen Liu, Yiran Li, Jingyang Wang, Bin Liu
Format: Article
Language:English
Published: Tsinghua University Press 2025-07-01
Series:Journal of Advanced Ceramics
Subjects:
thermal barrier coatings (tbcs)
hydrogen-fueled gas turbine
hydrogen defects
proton migration
density functional theory
Online Access:https://www.sciopen.com/article/10.26599/JAC.2025.9221099
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