Advanced Science· 2026Q1
The Potential of Zero Charge: An Interfacial Descriptor Governing Hydrogen Evolution Reaction on Bulk Metal Electrodes
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- Q1SCImago
- 2026year
Short summary
The potential of zero charge (PZC) is a new descriptor that, combined with hydrogen binding energy, accurately predicts hydrogen evolution reaction (HER) trends on metal electrodes, outperforming purely thermodynamic models.
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Key points
- A new kinetic descriptor, the potential of zero charge (PZC), has been identified for the hydrogen evolution reaction (HER).
- PZC modulates surface charge density and kinetic proton enrichment within the electrical double layer.
- A new 2D volcano plot combining PZC and hydrogen binding energy accurately predicts HER performance on metal electrodes.
- This dual-descriptor approach offers improved guidance for rational catalyst design compared to purely thermodynamic models.
AI-generated from the title and abstract; the full text is not read.
Abstract
ABSTRACT While the Sabatier‐based volcano plots guide catalyst design for Hydrogen Evolution Reaction (HER), the purely thermodynamic hydrogen binding energy descriptor fails to capture experimental HER trends accurately due to the omission of kinetic contributions. Herein, we combine the fixed‐potential method with our developed continuous proton supply/consumption model to establish an extra kinetic descriptor for metal‐based electrodes (Pt, Pd, Au, Ag, and their bimetallic alloys) under practical working conditions. The potential of zero charge (PZC) is demonstrated to be the interfacial descriptor, which modulates surface charge density and thereby tunes the kinetic proton enrichment within the EDL. Building on this insight, the PZC is integrated with hydrogen binding energies to establish a new two‐dimensional volcano plot for HER. The updated volcano plot derived from the dual descriptors effectively matches the experimental results, which provides an additional guiding parameter for rational catalyst design.
The authors' abstract, as published at the source. Advanced Science, 2026 · DOI ↗
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Field: Renewable Energy, Sustainability and the Environment
Renewable Energy, Sustainability and the EnvironmentEnergy