Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion
Abstract Single atom alloys (SAAs) with maximum atomic efficiency and uniform active sites show great promise for heterogeneous catalytic applications. Meanwhile, crystal phase engineering has granered significant interest due to tailored atomic arrangements and coordination environments. However, t...
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Nature Portfolio
2025-07-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-61232-z |
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| author | Xiaojuan Zhu Yi-Chi Wang Kaiyu Qu Leyang Song Jing Wang Yushuang Gong Xiang Liu Cheng-Fei Li Shiling Yuan Qipeng Lu An-Liang Wang |
| author_facet | Xiaojuan Zhu Yi-Chi Wang Kaiyu Qu Leyang Song Jing Wang Yushuang Gong Xiang Liu Cheng-Fei Li Shiling Yuan Qipeng Lu An-Liang Wang |
| author_sort | Xiaojuan Zhu |
| collection | DOAJ |
| description | Abstract Single atom alloys (SAAs) with maximum atomic efficiency and uniform active sites show great promise for heterogeneous catalytic applications. Meanwhile, crystal phase engineering has granered significant interest due to tailored atomic arrangements and coordination environments. However, the crystal phase engineering of SAAs remains challenging owing to high surface energy and complex phase transition dynamics. Herein, Ru1Co SAAs with tunable crystal phases (hexagonal-close-packed (hcp), face-centered-cubic (fcc), and hcp/fcc structure) are successfully synthesized via controlled phase transitions. These SAAs exhibit distinct crystal phase-dependent performance towards nitrate reduction reaction (NO3RR), where hcp-Ru1Co outperforms its counterparts with a NH3 Faradaic efficiency of 96.78% at 0 V vs. reversible hydrogen electrode and long-term stability exceeding 1200 h. Mechanistic investigations reveal that the hcp configurations enables shorter Ru-Co distances, stronger interatomic interactions, and more positive surface potential compared to hcp/fcc-Ru1Co and fcc-Ru1Co, which enhances the NO3 − adsorption, reduces the free energy barrier, and suppresses competitive hydrogen evolution. |
| format | Article |
| id | doaj-art-9deb4ea8968846c8a01164caf39bc2ff |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-9deb4ea8968846c8a01164caf39bc2ff2025-08-20T04:01:35ZengNature PortfolioNature Communications2041-17232025-07-0116111410.1038/s41467-025-61232-zModulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversionXiaojuan Zhu0Yi-Chi Wang1Kaiyu Qu2Leyang Song3Jing Wang4Yushuang Gong5Xiang Liu6Cheng-Fei Li7Shiling Yuan8Qipeng Lu9An-Liang Wang10Key Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityBeijing National Center for Electron Microscopy and Laboratory of Advanced Materials, School of Materials Science and Engineering, Tsinghua UniversityKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityNational Energy Key Laboratory for New Hydrogen-Ammonia Energy Technologies, Foshan Xianhu LaboratoryKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversitySchool of Materials Science and Engineering, University of Science and Technology BeijingKey Laboratory for Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong UniversityAbstract Single atom alloys (SAAs) with maximum atomic efficiency and uniform active sites show great promise for heterogeneous catalytic applications. Meanwhile, crystal phase engineering has granered significant interest due to tailored atomic arrangements and coordination environments. However, the crystal phase engineering of SAAs remains challenging owing to high surface energy and complex phase transition dynamics. Herein, Ru1Co SAAs with tunable crystal phases (hexagonal-close-packed (hcp), face-centered-cubic (fcc), and hcp/fcc structure) are successfully synthesized via controlled phase transitions. These SAAs exhibit distinct crystal phase-dependent performance towards nitrate reduction reaction (NO3RR), where hcp-Ru1Co outperforms its counterparts with a NH3 Faradaic efficiency of 96.78% at 0 V vs. reversible hydrogen electrode and long-term stability exceeding 1200 h. Mechanistic investigations reveal that the hcp configurations enables shorter Ru-Co distances, stronger interatomic interactions, and more positive surface potential compared to hcp/fcc-Ru1Co and fcc-Ru1Co, which enhances the NO3 − adsorption, reduces the free energy barrier, and suppresses competitive hydrogen evolution.https://doi.org/10.1038/s41467-025-61232-z |
| spellingShingle | Xiaojuan Zhu Yi-Chi Wang Kaiyu Qu Leyang Song Jing Wang Yushuang Gong Xiang Liu Cheng-Fei Li Shiling Yuan Qipeng Lu An-Liang Wang Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion Nature Communications |
| title | Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion |
| title_full | Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion |
| title_fullStr | Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion |
| title_full_unstemmed | Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion |
| title_short | Modulating Ru-Co bond lengths in Ru1Co single-atom alloys through crystal phase engineering for electrocatalytic nitrate-to-ammonia conversion |
| title_sort | modulating ru co bond lengths in ru1co single atom alloys through crystal phase engineering for electrocatalytic nitrate to ammonia conversion |
| url | https://doi.org/10.1038/s41467-025-61232-z |
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