Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells
Abstract High-entropy LnBaCo2O5+δ perovskites are explored as rSOC air electrodes, though high configuration entropy (S config) alone poorly correlates with performance due to multifactorial interactions. We systematically engineer LnBaCo2O5+δ perovskites (Ln = lanthanides) with tunable S config and...
Saved in:
| Main Authors: | , , , , , , , , , , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-03-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-58178-7 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850208497985126400 |
|---|---|
| author | Xiaoxin Zhang Hongyuan He Yu Chen Guangming Yang Xiao Xiao Haiping Lv Yongkang Xiang Shuxiong Wang Chang Jiang Jianhui Li Zhou Chen Subiao Liu Ning Yan Xue Yong Abdullah N. Alodhayb Yuanming Pan Ning Chen Jinru Lin Xin Tu Zongping Shao Yifei Sun |
| author_facet | Xiaoxin Zhang Hongyuan He Yu Chen Guangming Yang Xiao Xiao Haiping Lv Yongkang Xiang Shuxiong Wang Chang Jiang Jianhui Li Zhou Chen Subiao Liu Ning Yan Xue Yong Abdullah N. Alodhayb Yuanming Pan Ning Chen Jinru Lin Xin Tu Zongping Shao Yifei Sun |
| author_sort | Xiaoxin Zhang |
| collection | DOAJ |
| description | Abstract High-entropy LnBaCo2O5+δ perovskites are explored as rSOC air electrodes, though high configuration entropy (S config) alone poorly correlates with performance due to multifactorial interactions. We systematically engineer LnBaCo2O5+δ perovskites (Ln = lanthanides) with tunable S config and 20 consistent parameters, employing Bayesian-optimized symbolic regression to decode activity descriptors. The model identifies synergistic contributions from S config, ionic radius, and electronegativity, enabling screening of 177,100 compositions. Three validated oxides exhibit superior activity/durability, particularly (Pr0.05La0.4Nd0.2Sm0.1Y0.25)BaCo2O5+δ , showing enhanced oxygen vacancy concentration and disordered transport pathways. First-principles studies reveal optimized charge transfer kinetics via cobalt-oxygen bond modulation. Further, the interplay between first ionization energy, atomic mass, and ionic Lewis acidity dictates stability. This data-driven approach establishes a quantitative framework bridging entropy engineering and catalytic functionality in complex oxides. |
| format | Article |
| id | doaj-art-b717bdb9644445f7b0fd1fbc5a395e77 |
| institution | OA Journals |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-b717bdb9644445f7b0fd1fbc5a395e772025-08-20T02:10:14ZengNature PortfolioNature Communications2041-17232025-03-0116111410.1038/s41467-025-58178-7Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cellsXiaoxin Zhang0Hongyuan He1Yu Chen2Guangming Yang3Xiao Xiao4Haiping Lv5Yongkang Xiang6Shuxiong Wang7Chang Jiang8Jianhui Li9Zhou Chen10Subiao Liu11Ning Yan12Xue Yong13Abdullah N. Alodhayb14Yuanming Pan15Ning Chen16Jinru Lin17Xin Tu18Zongping Shao19Yifei Sun20College of Energy, Xiamen UniversityDepartment of Electrical Engineering and Electronics, University of LiverpoolCollege of Energy, Xiamen UniversityState Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech UniversityCollege of Energy, Xiamen UniversityCollege of Energy, Xiamen UniversityCollege of Energy, Xiamen UniversityCollege of Energy, Xiamen UniversityCollege of Energy, Xiamen UniversityNational Engineering Research Center of Chemicals for Electronic Manufacturing (Reconstruction), College of Chemistry and Chemical Engineering, Xiamen UniversityCollege of Materials, Xiamen UniversitySchool of Minerals Processing and Bioengineering, Central South UniversitySchool of Physics and Technology, Wuhan UniversityDepartment of Electrical Engineering and Electronics, University of LiverpoolKing Abdullah Institute for Nanotechnology, King Saud UniversityDepartment of Geological Sciences, University of SaskatchewanCanadian Light Source, University of SaskatchewanKey Laboratory of Pollution Ecology and Environmental Engineering, Institute of Applied Ecology, Chinese Academy of SciencesDepartment of Electrical Engineering and Electronics, University of LiverpoolWA School of Mines: Minerals, Energy & Chemical Engineering (WASM-MECE), Curtin UniversityCollege of Energy, Xiamen UniversityAbstract High-entropy LnBaCo2O5+δ perovskites are explored as rSOC air electrodes, though high configuration entropy (S config) alone poorly correlates with performance due to multifactorial interactions. We systematically engineer LnBaCo2O5+δ perovskites (Ln = lanthanides) with tunable S config and 20 consistent parameters, employing Bayesian-optimized symbolic regression to decode activity descriptors. The model identifies synergistic contributions from S config, ionic radius, and electronegativity, enabling screening of 177,100 compositions. Three validated oxides exhibit superior activity/durability, particularly (Pr0.05La0.4Nd0.2Sm0.1Y0.25)BaCo2O5+δ , showing enhanced oxygen vacancy concentration and disordered transport pathways. First-principles studies reveal optimized charge transfer kinetics via cobalt-oxygen bond modulation. Further, the interplay between first ionization energy, atomic mass, and ionic Lewis acidity dictates stability. This data-driven approach establishes a quantitative framework bridging entropy engineering and catalytic functionality in complex oxides.https://doi.org/10.1038/s41467-025-58178-7 |
| spellingShingle | Xiaoxin Zhang Hongyuan He Yu Chen Guangming Yang Xiao Xiao Haiping Lv Yongkang Xiang Shuxiong Wang Chang Jiang Jianhui Li Zhou Chen Subiao Liu Ning Yan Xue Yong Abdullah N. Alodhayb Yuanming Pan Ning Chen Jinru Lin Xin Tu Zongping Shao Yifei Sun Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells Nature Communications |
| title | Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| title_full | Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| title_fullStr | Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| title_full_unstemmed | Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| title_short | Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| title_sort | co expression of multi genes for polynary perovskite electrocatalysts for reversible solid oxide cells |
| url | https://doi.org/10.1038/s41467-025-58178-7 |
| work_keys_str_mv | AT xiaoxinzhang coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT hongyuanhe coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT yuchen coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT guangmingyang coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT xiaoxiao coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT haipinglv coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT yongkangxiang coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT shuxiongwang coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT changjiang coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT jianhuili coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT zhouchen coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT subiaoliu coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT ningyan coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT xueyong coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT abdullahnalodhayb coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT yuanmingpan coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT ningchen coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT jinrulin coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT xintu coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT zongpingshao coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells AT yifeisun coexpressionofmultigenesforpolynaryperovskiteelectrocatalystsforreversiblesolidoxidecells |