تقرير
Topological iron silicide with H* intermediate modulated surface for efficient electrocatalytic hydrogenation of nitrobenzene in neutral medium
| العنوان: | Topological iron silicide with H* intermediate modulated surface for efficient electrocatalytic hydrogenation of nitrobenzene in neutral medium |
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| المؤلفون: | Wang, Yuchen, Liu, Yaoyu, Zhao, Zhiyue, Zheng, Zhikeng, Balu, Alina M., Luque, Rafael, Yan, Kai |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Physics - Chemical Physics, Condensed Matter - Materials Science |
| الوصف: | Electrocatalytic hydrogenation of nitrobenzene (Ph-NO2) reaction (EHNR) has been considered as a potential alternative to the traditional thermocatalytic process in the production of high-value aniline (Ph-NH2). However, due to the absence of robust catalyst and low surface H* coverage, the EHNR faces the challenges of undesired performance and indetermined mechanism. Herein, we construct a type of noble-metal free topological FeSi (M-FeSi) materials through a solvent-free microwave strategy for efficient EHNR in neutral medium. Impressively, benefiting from abundant active H* intermediates on the surface of M-FeSi catalyst, the topological M-FeSi catalyst exhibits 99.7% conversion of Ph-NO2 and 93.8% yield of Ph-NH2 after 200 C in neutral medium, which are superior to previous candidates and FeSi catalyst synthesized via the traditional arc-melting method under same conditions. Besides, theoretical calculations validate that high surface H* coverage over M-FeSi catalyst is conducive to switching the rate-determining step from Ph-NO2* Ph-NO* to Ph-NO* Ph-NHOH*, and thus decreasing the total energy barrier of electrocatalytic Ph-NH2 production. |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2403.16455 |
| رقم الأكسشن: | edsarx.2403.16455 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |