November 10, 2025Journal of Applied PhysicsOpen Access

Hydration engineering of WO3 for optimizing hydrogen spillover: A first-principles guided approach to boost alkaline HER

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This investigation reveals how hydration impacts hydrogen evolution reaction performance in WO3, suggesting improvements in catalyst design.

Hydration significantly enhances the hydrogen evolution reaction through optimized proton transport.
Water intercalation reduces hydrogen adsorption energy from -2.513 eV to -0.609 eV in fully hydrated WO3.
The analysis employed density functional theory and molecular dynamics to assess structural changes in WO3.
Findings highlight the design considerations necessary for effective WO3-based hydrogen evolution reaction catalysts.

Shen et al. (2025) studied this question.

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This investigation reveals how hydration impacts hydrogen evolution reaction performance in WO3, suggesting improvements in catalyst design.