Atomically dispersed Ni-Ru-P interface sites for high-efficiency pH-universal electrocatalysis of hydrogen evolution

Designing catalysts with specific active sites is a crucial yet challenging task for high-efficiency electrocatalysis of hydrogen evolution reaction (HER). In this paper, we report the construction of atomically dispersed Ni-Ru-P interface sites (ISs) on Ru single-atomic sites doped nickel phosphide nanoparticles (Ru SAs-Ni2P NPs) with high-efficiency HER performances in a wide pH range. Especially, the as-constructed atomically dispersed Ni-Ru-P ISs on 2.20 wt% Ru SAs-Ni2P showed a highly active for catalyzing HER with high turnover frequencies at low overpotential, featuring a high mass activity as well as a superior stability under alkaline conditions. Based on the operando X-ray absorption spectroscopy experiments indicated that the Ni-Ru-P ISs plays an active role in the process of HER and participates in the catalytic process. Density functional theory calculations exhibited that the strong interaction in the atomically dispersed Ni-Ru-P ISs results in an optimized the hydrogen adsorption energy and an elevated hydroxyl adsorption energy, both of which help improve the HER performances. Notably, this work provides a new perspective for the design of high-efficiency HER electrocatalysts by constructing atomically dispersed ISs.

Automated summary

This paper describes the development of atomically dispersed Ni-Ru-P interface sites on single-atomic Ru-doped nickel phosphide nanoparticles for high-efficiency electrocatalysis of the hydrogen evolution reaction. Experimental and theoretical studies revealed that the Ni-Ru-P interface sites play a crucial role in enhancing the HER performance.