Electrocatalytic Hydrogen Evolution from Molybdenum Disulfide

Molybdenum disulfide (MoS₂) has emerged as a leading non-noble-metal catalyst for the electrochemical hydrogen evolution reaction (HER). Its layered, two-dimensional structure offers abundant edge and defect sites, while phase engineering between the semiconducting 2H form and the metallic 1T form enables tuning of electrical conductivity and active‐site density. Advances in synthetic methods—such as hydrothermal and solvothermal routes—along with atomic-level doping and heterostructure assembly have driven overpotentials down to the tens of millivolts and Tafel slopes below 50 mV dec⁻¹. These developments position MoS₂-based catalysts as cost-effective components for green hydrogen production in both acidic and alkaline electrolytes.

Research from Nature Portfolio

A landmark hydrothermal synthesis has yielded pure, stable metallic-phase MoS₂ nanosheets with a water-mediated stabilisation layer, delivering 10 mA cm⁻² at −175 mV and a 41 mV dec⁻¹ Tafel slope. Building on this, phase modulation combined with interfacial chemistry and defect implantation (including phosphorus and sulfur) has produced multi-heterojunction electrocatalysts such as 1T₀.₈₁-MoS₂@Ni₂P, which outperform commercial Pt/C in both acidic and alkaline media, exhibiting overpotentials of 38.9 mV and 95 mV respectively at 10 mA cm⁻². In situ spectroscopic studies have further revealed the dynamic evolution of single-atom Ni active sites within 1T-MoS₂, demonstrating reversible Ni⁰ formation under alkaline conditions and clarifying mechanistic pathways that guide the design of more efficient single-atom catalysts.

Electrocatalytic Hydrogen Evolution from Molybdenum Disulfide publication trend

The graph below shows the total number of articles in electrocatalytic hydrogen evolution from molybdenum disulfide across all publications each year (not limited to Nature Index journals).

Technical terms

Electrocatalytic hydrogen evolution reaction (HER): Electrochemical process in which protons are reduced to H₂ gas at a catalyst surface.

Overpotential: Excess voltage beyond the thermodynamic requirement needed to drive an electrochemical reaction at a given rate.

Tafel slope: Parameter quantifying the change in overpotential required to increase current density by a factor of ten, reflecting reaction kinetics.

1T and 2H phases of MoS₂: Distinct crystal polymorphs, where 1T is metallic and 2H is semiconducting, each offering different catalytic and electronic properties.

Active site: Specific atomic location on a catalyst surface where adsorption and reaction of reactants occur.

Heterostructure: Composite material formed by integrating different phases or compounds to create interfaces that enhance catalytic performance.

References

1. Pure and stable metallic phase molybdenum disulfide nanosheets for hydrogen evolution reaction. Nature Communications (2016).
2. Interfacial electronic structure engineering on molybdenum sulfide for robust dual-pH hydrogen evolution. Nature Communications (2021).
3. Dynamic evolution and reversibility of single-atom Ni(II) active site in 1T-MoS2 electrocatalysts for hydrogen evolution. Nature Communications (2020).
4. MoS2 Coexisting in 1T and 2H Phases Synthesized by Common Hydrothermal Method for Hydrogen Evolution Reaction. Nanomaterials (2019).
5. One-Step Hydrothermal Synthesis of Phase-Engineered MoS2/MoO3 Electrocatalysts for Hydrogen Evolution Reaction. ACS Applied Nano Materials (2021).
6. Dual-phase MoS2/MXene/CNT ternary nanohybrids for efficient electrocatalytic hydrogen evolution. npj 2D Materials and Applications (2022).