This work investigates the selective anchoring of Ir single atoms onto defective CoOOH surfaces at three-fold hollow sites (Ir1/To-CoOOH) and oxygen vacancies (Ir1/Vo-CoOOH) to understand how anchoring sites modulate oxygen evolution reaction (OER) activity. Ir1/To-CoOOH shows improved OER activity due to strong electronic interactions modifying the active center's electronic structure. Ir1/Vo-CoOOH exhibits even better performance, achieving a 70 mV lower overpotential at 10 mA cm⁻² than Ir1/To-CoOOH, attributed to hydrogen bonding between the Ir center and oxygenated intermediates, stabilizing them and lowering the energy barrier of the rate-determining step.

Zhirong Zhang, Chen Feng, Dongdi Wang, Shiming Zhou, Ruyang Wang, Sunpei Hu, Hongliang Li, Ming Zuo, Yuan Kong, Jun Bao, Jie Zeng