Modulation of active Mo sites through push-pull electron effect for enhanced hydrogen evolution reaction

Haohao Wang, Jingye Liang, Xiaowen Huo, Run Wang, Xiaoxu Zhao, Haitao Wang and Na Chang

Renewable Energy, 2025, vol. 251, issue C

Abstract: Hydrogen energy, as a green and clean renewable energy source, has become a central focus in future energy development. Due to its high efficiency hydrogen production capability, the photo-assisted electrocatalysis hydrogen evolution reaction (HER) is considered a promising technology for future hydrogen acquisition. Tremendous strategies have been attempted to optimize the hydrogen adsorption free energy (ΔGH∗) on the catalyst surface to thus increase HER. However, utilizing the intramolecular electron transfer for molybdenum dioxide-based (MoO2) catalyst to regulate the catalyst's ΔGH∗ remains challenging. In this study, the core-shell structured Fe2Mo3O8/MoO2@C nanoparticle photo-assisted electrocatalysts are derived from calcining Mo/Fe-based bimetallic metal organic frameworks (Mo/Fe-MOFs). The asymmetric distribution of Mo and Fe, coupled with the role of Fe in donating electrons to active Mo sites, optimizes the ΔGH∗ by forming Mo-O-Fe bonds through the bimetallic push-pull electron effect. The Fe2Mo3O8/MoO2@C shows excellent HER performance, achieving a current density of 10 mV/cm2 with overpotential of only −0.16 V in alkaline solution under photo-assisted conditions, which is superior to that of Mo-MOFs (−0.51 V). It also exhibits a high HER activity at all pH ranges, an outstanding durability and stability. This work highlights the importance of the push-pull electron effect in enhancing catalytic performance.

Keywords: Photo-assisted electrocatalytic; Mo/Fe-MOFs; Push-pull electron effect; Hydrogen evolution reaction (search for similar items in EconPapers)
Date: 2025
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Persistent link: https://EconPapers.repec.org/RePEc:eee:renene:v:251:y:2025:i:c:s096014812501122x

DOI: 10.1016/j.renene.2025.123460

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