دورية أكاديمية
Rational Design and Precise Synthesis of Single‐Atom Alloy Catalysts for the Selective Hydrogenation of Nitroarenes
| العنوان: | Rational Design and Precise Synthesis of Single‐Atom Alloy Catalysts for the Selective Hydrogenation of Nitroarenes |
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| المؤلفون: | Haisong Feng, Wei Liu, Lei Wang, Enze Xu, Donghui Pang, Zhen Ren, Si Wang, Shiquan Zhao, Yuan Deng, Tianyong Liu, Yusen Yang, Xin Zhang, Feng Li, Min Wei |
| المصدر: | Advanced Science, Vol 11, Iss 23, Pp n/a-n/a (2024) |
| بيانات النشر: | Wiley, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Science |
| مصطلحات موضوعية: | catalysts designed, density functional theory, host–guest metal interactions, selective hydrogenation, single‐atom alloy catalysts, Science |
| الوصف: | Abstract Single‐atom alloys (SAAs) have gained increasing prominence in the field of selective hydrogenation reactions due to their uniform distribution of active sites and the unique host‐guest metal interactions. Herein, 15 SAAs are constructed to comprehensively elucidate the relationship between host‐guest metal interaction and catalytic performance in the selective hydrogenation of 4‐nitrostyrene (4‐NS) by density functional theory (DFT) calculations. The results demonstrate that the SAAs with strong host‐guest metal interactions exhibit a preference for N─O bond cleavage, and the reaction energy barrier of the hydrogenation process is primarily influenced by the host metal. Among them, Ir1Ni SAA stands out as the prime catalyst candidate, showcasing exceptional activity and selectivity. Furthermore, the Ir1Ni SAA is subsequently prepared through precise synthesis techniques and evaluated in the selective hydrogenation of 4‐NS to 4‐aminostyrene (4‐AS). As anticipated, the Ir1Ni SAA demonstrates extraordinary catalytic performance (yield > 96%). In situ FT‐IR experiments and DFT calculations further confirmed that the unique host‐guest metal interaction at the Ir‐Ni interface site of Ir1Ni SAA endows it with excellent 4‐NS selective hydrogenation ability. This work provides valuable insights into enhancing the performance of SAAs catalysts in selective hydrogenation reactions by modulating the host‐guest metal interactions. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2198-3844 68134444 |
| Relation: | https://doaj.org/toc/2198-3844 |
| DOI: | 10.1002/advs.202304908 |
| URL الوصول: | https://doaj.org/article/560a00d681344449862f5a54499b46f4 |
| رقم الأكسشن: | edsdoj.560a00d681344449862f5a54499b46f4 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 21983844 68134444 |
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| DOI: | 10.1002/advs.202304908 |