Wang Shuhua, Huang Baibiao, Dai Ying, Wei Wei
School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China.
J Phys Chem Lett. 2025 Jan 30;16(4):889-903. doi: 10.1021/acs.jpclett.4c03301. Epub 2025 Jan 18.
Electrochemical nitrogen conversion for ammonia (NH) synthesis, driven by renewable electricity, offers a sustainable alternative to the traditional Haber-Bosch process. However, this conversion process remains limited by a low Faradaic efficiency (FE) and NH yield. Although transition metals have been widely studied as catalysts for NH synthesis through effective electron donation/back-donation mechanisms, there are challenges in electrochemical environments, including competitive hydrogen evolution reaction (HER) and catalyst stability issues. In contrast, -block elements show unique advantages in light of higher selectivity for nitrogen activation and chemical stability. The present article explores the potential of -block element-based catalysts as active sites for NH synthesis, discussing their activation mechanisms, performance modulation strategies, and future research directions from a theoretical perspective.
由可再生电力驱动的用于合成氨（NH₃）的电化学氮转化为传统哈伯-博施法提供了一种可持续的替代方案。然而，这种转化过程仍然受到法拉第效率（FE）低和氨产率的限制。尽管过渡金属已通过有效的电子给予/回授机制作为氨合成催化剂被广泛研究，但在电化学环境中仍存在挑战，包括竞争性析氢反应（HER）和催化剂稳定性问题。相比之下，p区元素在氮活化选择性更高和化学稳定性方面具有独特优势。本文从理论角度探讨了基于p区元素的催化剂作为氨合成活性位点的潜力，讨论了它们的活化机制、性能调控策略和未来研究方向。
