The desire of green ammonia (NH₃) production requires efficient catalysts that could operate at mild conditions. However, the activity of catalysts is restricted by scaling relation that low activation energy of N₂ is in conjunction with the over-strong affinity of intermediates, which blocks adsorption sites of catalyst and hinders NH₃ production. Single atom alloy (SAA) is an efficient approach to circumvent this relation. In the present work, we offer a feasible strategy of preparing M₁Ru (M = Fe, Co, Ni) SAA. Our studies show that Co₁Ru SAA has the highest NH₃ synthesis rate and the largest TOF_Ru value among M₁Ru SAA. Compared with CoRu nanoparticle alloy (NPA), Co₁Ru SAA has stronger electronic interaction between Co and Ru, which induces lower work function and up-shift d band center toward Fermi level for Co₁Ru SAA, thus promoting N₂ activation. Meanwhile, the unique SAA structure could effectively tune N₂ activation pathway. Those findings make a contribution to the development of advanced catalysts for efficient NH₃ synthesis at mild conditions.

生产绿色氨 (NH ₃ )的愿望需要能够在温和条件下运行的高效催化剂。然而，催化剂的活性受到N ₂低活化能和中间体过强亲和力的比例关系的限制，这阻碍了催化剂的吸附位点并阻碍了NH _{3 的}产生。单原子合金 (SAA) 是规避这种关系的有效方法。在目前的工作中，我们提供了一种制备 M ₁ Ru (M = Fe, Co, Ni) SAA的可行策略。我们的研究表明，Co ₁ Ru SAA在 M _{1 中}具有最高的 NH ₃合成率和最大的 TOF _Ru值茹SAA。与纳米颗粒的CoRu合金（NPA）相比，共₁孺SAA具有Co和钌，其诱导降低的功函数和升档之间更强的电子交互d朝向费米能级为共同频带中心₁茹SAA，从而促进Ñ ₂活化。同时，独特的SAA结构可以有效地调节N ₂激活途径。这些发现有助于开发在温和条件下高效合成NH ₃的先进催化剂。