Electrocatalytic Hydrogen Evolution Using Molybdenum Phosphide

Electrocatalytic hydrogen evolution using molybdenum phosphide (MoP) has emerged as a leading approach to sustainable hydrogen production. As a non-noble-metal catalyst, MoP combines high electrical conductivity, chemical stability and earth-abundant composition to rival platinum in the hydrogen evolution reaction (HER). Its intrinsic activity arises from a favourable balance of hydrogen adsorption and desorption free energies at the catalyst surface, often described in terms of the Gibbs free energy of hydrogen adsorption. Surface engineering—through facet control, heterostructure formation and heteroatom doping—enables fine tuning of electronic structure to optimise active site density and reaction kinetics under both acidic and alkaline conditions. Recent advances include the incorporation of lanthanide dopants to modulate Mo 4d electronic states via f-d-p orbital coupling, the exploitation of specific crystallographic planes such as the (100) facet for near-zero adsorption free energy, and the integration of composite supports to enhance mass transport and long-term durability. Together, these innovations are paving the way towards scalable electrolysers capable of operating in real-world environments, including natural seawater, with performance and stability that meet industrial requirements.

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Electrocatalytic Hydrogen Evolution Using Molybdenum Phosphide publication trend

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Technical terms

Electrocatalysis: Acceleration of an electrochemical reaction at the surface of a catalyst under an applied potential.

Hydrogen evolution reaction (HER): The half-reaction in water electrolysis where protons or water molecules are reduced to molecular hydrogen.

Overpotential: The extra voltage beyond the thermodynamic potential required to drive an electrochemical reaction at a given rate.

Tafel slope: A parameter that characterises the relationship between overpotential and logarithm of current density, reflecting reaction kinetics.

Gibbs free energy of hydrogen adsorption (ΔG_H*): The thermodynamic driving force for binding and releasing hydrogen atoms on a catalyst surface; optimal catalysts exhibit values near zero.

Density functional theory (DFT): A quantum-mechanical modelling method used to investigate electronic structure and predict catalytic behaviour.

Dopant: An intentionally introduced foreign atom or ion that alters the electronic properties of a host material to enhance catalytic performance.

References

1. Balancing H* Adsorption/Desorption by Localized 4f Orbital Electrons of Lanthanide Dopants in Carbon‐Encapsulated MoP for Boosted Hydrogen Evolution. Advanced Science (2025).
2. Theoretical insights of electrocatalytic hydrogen evolution on MoP nanocrystal. International Journal of Hydrogen Energy (2023).
3. Rare‐Earth Doping Transitional Metal Phosphide for Efficient Hydrogen Evolution in Natural Seawater. Small Structures (2022).