Mo 2 C coated with Ni nanoparticles as the cathode catalyst towards efficient hydrogen evolution reaction: an experimental and computational investigation

• Published in: Physical chemistry chemical physics : PCCP 2024-08, Vol.26 (34), p.22656-22664
• Main Authors: Liu, Chuan, Chu, Xin, Pi, Yingqi, Dong, Chunshan, Lei, Yuhan, Yao, Wanwan, Zhang, Bentian, Li, Zirong, Wang, Xuchun, Cheng, Ping
• Format: Article
• Language: English
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/d4cp02356k

Although Mo C and earth-abundant 3d transition metals are regarded as potential catalysts to replace noble metal catalysts for effective hydrogen evolution reaction, their large-scale application is still inhibited by their own defects. Here, a facile thermal treatment method for nonprecious metal catalysts is developed to prepare a porous Ni/Mo C composite catalyst. The loading density of Ni nanoparticles on the Mo C surface has an important effect on the activity of the catalyst. By optimizing the Ni doping ratio, the Ni-40/Mo C-17 sample exhibits the lowest onset overpotential and lowest overpotential at 10 mA cm in both acidic and alkaline electrolytes, compared to other reported Ni- and Mo C-based catalysts. In addition, theoretical calculations have also confirmed the synergistic effect between Ni nanoparticles and Mo C, which can balance the thermodynamics between H adsorption and desorption of H . This work provides an avenue for designing high-performance water-splitting catalytic materials using low-cost species, which exhibit excellent HER activity in a wide pH range.