Photocatalytic conversion of nitrogen (N₂) to ammonia (NH₃) requires strong binding of N₂ onto the catalyst surface and the generation of photoexcited electrons to activate the N≡N bond. In this study, Fe is doped into BiOBr nanosheets, where the photoexcited electrons have enough energy to break the N≡N bond. The presence of Fe induces the formation of oxygen vacancies (OVs) in its vicinity, making it a photoexcited electron-rich region. The reduced Fe species effectively donates its available 3d orbital electron into the π N–N antibonding orbital to activate the adsorbed N₂. With Fe as the active site, the N₂ fixation rate of Fe-doped BiOBr is enhanced by eight times. This work provides a sustainable alternative for N₂ photofixation and strategies for the catalyst design.

中文翻译：

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Fe增强BiOBr纳米片上的可见光驱动氮固定

氮（N ₂）向氨（NH ₃）的光催化转化需要N ₂与催化剂表面牢固结合，并需要产生光激发电子来激活N≡N键。在这项研究中，将Fe掺杂到BiOBr纳米片中，其中光激发电子具有足够的能量来破坏N≡N键。Fe的存在会在其附近诱导氧空位（OVs）的形成，使其成为光激发电子富集区。还原的铁物种有效地将其可用的3d轨道电子捐献给πN–N反键轨道，以激活吸附的N ₂。以Fe为活性位点的N ₂掺铁的BiOBr的固着率提高了八倍。这项工作为N ₂光固定和催化剂设计策略提供了可持续的选择。