南方科技大学Meng Gu研究团队经过不懈努力，开发出一种可优化析氧反应的单铱原子掺杂的Ni₂P催化剂。这一研究成果于2021年8月16日发表在国际顶尖学术期刊《美国化学会杂志》上。

该课题组研究人员报道了Ni₂P催化剂上的铱单原子(IrSA-Ni₂P)，在1.0 M KOH中，电流密度为10 mA·cm^-2时，有着创纪录低的过电位，为149 mV。在1.53 V（vs RHE）时，IrSA-Ni₂P催化剂的电流密度比广泛使用的IrO₂高约28倍。实验结果和计算模拟均表明，Ir单原子优先占据顶部表面的Ni位。重建的Ir-O-P / Ni-O-P键合环境对OER中间物种的最佳吸附和解吸起着至关重要的作用，从而导致OER活性的显著增强。

此外，Ni@Ir粒子的特定结构的动态“自上而下”的进化是单原子结构耐久和稳定性的原因。这种IrSA-Ni₂P催化剂为简化修饰策略和进一步提高OER性能提供了新的可能性。

据介绍，具有100%活性位点的单原子催化剂在析氧反应(OER)中具有良好的应用前景。然而，进一步提高OER的催化活性是相当具有挑战性的，特别是开发过电位<180 mV的稳定单原子催化剂。

附：英文原文

Title: Single Iridium Atom Doped Ni2P Catalyst for Optimal Oxygen Evolution

Author: Qi Wang, Zhe Zhang, Chao Cai, Maoyu Wang, Zhi Liang Zhao, Menghao Li, Xiang Huang, Shaobo Han, Hua Zhou, Zhenxing Feng, Lei Li, Jun Li, Hu Xu, Joseph S. Francisco, Meng Gu

Issue&Volume: August 16, 2021

Abstract: Single-atom catalysts (SACs) with 100% active sites have excellent prospects for application in the oxygen evolution reaction (OER). However, further enhancement of the catalytic activity for OER is quite challenging, particularly for the development of stable SACs with overpotentials <180 mV. Here, we report an iridium single atom on Ni2P catalyst (IrSA-Ni2P) with a record low overpotential of 149 mV at a current density of 10 mA·cm–2 in 1.0 M KOH. The IrSA-Ni2P catalyst delivers a current density up to ～28-fold higher than that of the widely used IrO2 at 1.53 V vs RHE. Both the experimental results and computational simulations indicate that Ir single atoms preferentially occupy Ni sites on the top surface. The reconstructed Ir–O–P/Ni–O–P bonding environment plays a vital role for optimal adsorption and desorption of the OER intermediate species, which leads to marked enhancement of the OER activity. Additionally, the dynamic “top-down” evolution of the specific structure of the Ni@Ir particles is responsible for the robust single-atom structure and, thus, the stability property. This IrSA-Ni2P catalyst offers novel prospects for simplifying decoration strategies and further enhancing OER performance.

DOI: 10.1021/jacs.1c04682

Source: https://pubs.acs.org/doi/10.1021/jacs.1c04682