Anion-exchange membrane water electrolyzers (AEMWEs) for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based catalysts. By introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units, the d-orbital and electronic structures can be adjusted, which is an important strategy to achieve sufficient oxygen evolution reaction (OER) performance in AEMWEs. Herein, the ternary NiFeM (M: La, Mo) catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this work. Experimental and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen, resulting in enhanced adsorption strength of oxygen intermediates, and reduced rate-determining step energy barrier, which is responsible for the enhanced OER performance. More critically, the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm⁻² in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

用于绿色制氢的阴离子交换膜水电解槽（AEMWE）由于其使用地球上储量丰富的镍铁基催化剂的可行性而受到广泛关注。通过在NiFe基催化剂中引入第三种金属来构建不对称M-NiFe单元，可以调整d轨道和电子结构，这是在AEMWE中实现足够的析氧反应（OER）性能的重要策略。本文报道了具有不同 M-NiFe 单元和不同d轨道的三元 NiFeM (M: La, Mo) 催化剂。实验和理论计算结果表明，La的掺杂导致NiFeM中的d轨道与氧中的2p之间的优化杂化，从而增强了氧中间体的吸附强度，并降低了决速步骤能垒，从而增强了开放教育资源绩效。更关键的是，所获得的NiFeLa催化剂在阴离子交换膜电解槽中仅需要1.58V即可达到1A cm ^-2 ，并表现出长达600小时的优异长期稳定性。