Growth of MoS2 nanosheets on M@N-doped carbon particles (M = Co, Fe or CoFe Alloy) as an efficient electrocatalyst toward hydrogen evolution reaction

• Published in: Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2022-01, Vol.428, p.132126, Article 132126
• Main Authors: Ali Shah, Sayyar, Xu, Li, Sayyar, Rani, Bian, Ting, Liu, Zeyu, Yuan, Aihua, Shen, Xiaoping, Khan, Iltaf, Ali Tahir, Asif, Ullah, Habib
• Format: Article
• Language: English
• Subjects: Density functional theory; Electrocatalyst; Hydrogen evolution reaction; Molybdenum disulfide; N-doped carbon encapsulated metal particles
• ISSN: 1385-8947; 1873-3212
• DOI: 10.1016/j.cej.2021.132126

[Display omitted] •The MoS2 nanosheets grown on M@NDC (M = Co, Fe or CoFe alloy) by hydrothermal method.•The as-prepared M@NDC@MoS2 hybrids display improved HER performance.•The CoFe@NDC@MoS2 hybrid shows excellent performance and durability for HER.•The enhanced HER properties was explained by characterizations and DFTcalculations. The design and synthesis of a highly active noble metal-free electrocatalyst for hydrogen evolution reaction (HER) from water splitting are crucial for renewable energy technologies. Herein, we report the growth of molybdenum disulfide (MoS2) on N-doped carbon encapsulated metal particles (M@NDC@MoS2, where M = Co, Fe or CoFe alloy) as a highly active electrocatalyst for HER. The hierarchical MoS2 nanosheets are grown on M@NDC using the hydrothermal method. Our results show that CoFe@NDC@MoS2 hybrid spheres exhibit excellent HER performance with an overpotential of 64 mV at a current density of 10 mA cm−2 and a small Tafel slope of 45 mV dec-1. In addition, CoFe@NDC@MoS2 hybrid spheres have good long-term stability and durability in acidic conditions. Besides, density functional theory (DFT) simulations of the proposed catalysts are performed and suggest that the superior catalytic activity of CoFe@NDC@MoS2 is due to the optimal electron transfer from CoFe@NDC nanoparticles to MoS2 nanosheets. This electron transfer facilitates H+ interaction and adsorption, leading to a decreased Gibbs free energy (ΔGH* ≈ 0.08 eV) and local work function on the surface, which consequently enhances the HER performance.