首页|期刊导航|Journal of Advanced Ceramics|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

Baoshuai Liu Juanli Zhao Kaili Chu Yuchen Liu Yiran Li Jingyang Wang Bin Liu

Journal of Advanced Ceramics2025，Vol.14Issue(7)：P.35-46,12.

Journal of Advanced Ceramics2025，Vol.14Issue(7)：P.35-46,12.DOI:10.26599/JAC.2025.9221099

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

Baoshuai Liu ¹Juanli Zhao ²Kaili Chu ³Yuchen Liu ⁴Yiran Li ³Jingyang Wang ⁵Bin Liu³

作者信息

1. School of Materials Science and Engineering,Shanghai University,Shanghai 200444,China Institute of Coating Technology for Hydrogen Gas Turbines,Liaoning Academy of Materials,Shenyang 110004,China
2. Jiangxi Provincial Key Laboratory of Advanced Electronic Materials and Devices,Jiangxi Science&Technology Normal University,Nanchang 330038,China
3. School of Materials Science and Engineering,Shanghai University,Shanghai 200444,China
4. College of Sciences,Nanjing Agricultural University,Nanjing 210095,China
5. Institute of Coating Technology for Hydrogen Gas Turbines,Liaoning Academy of Materials,Shenyang 110004,China
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摘要

关键词

thermal barrier coatings(TBCs)/hydrogen-fueled gas turbine/hydrogen defects/proton migration/density functional theory

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能源科技

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Baoshuai Liu,Juanli Zhao,Kaili Chu,Yuchen Liu,Yiran Li,Jingyang Wang,Bin Liu..Unraveling the atomic-scale mechanisms of hydrogen defects behavior in yttria-stabilized tetragonal zirconia by first principles calculation[J].Journal of Advanced Ceramics,2025,14(7):P.35-46,12.

基金项目

supported by the National Natural Science Foundation of China(Nos.U21A2063 and 52102070) （Nos.U21A2063 and 52102070）

Yiran Li acknowledges research support from the Young Elite Scientists Sponsorship Program by CAST(No.2024QNRC001) （No.2024QNRC001）

Juanli Zhao acknowledges research support from the Jiangxi Provincial Program for the Development of Early Career Young Scientific and Technological Talents(No.20244BCE52254) （No.20244BCE52254）

Bin Liu acknowledges research support from the Shanghai Technical Service Center for Advanced Ceramics Structure Design and Precision Manufacturing(No.20DZ2294000). （No.20DZ2294000）

Journal of Advanced Ceramics

OACSCD

ISSN：2226-4108

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