Electrochemical Hydrogen Evolution on Ni ₂ P: Insights from Constant-Potential DFT and Microkinetic Modelling

Syam Sadan; Sander Ø. Hanslin; Engeborg-Helene Svenum; Jaakko Akola

doi:10.1039/d5cp04301h

January 1, 2026Physical Chemistry Chemical PhysicsOpen Access

Electrochemical Hydrogen Evolution on Ni ₂ P: Insights from Constant-Potential DFT and Microkinetic Modelling

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Key Points

This research aims to understand how surface structure and potential affect hydrogen evolution on nickel phosphides.
Used density functional simulations to analyze electrochemical processes.
Implemented a constant-potential approach with a hybrid solvation model.
Conducted microkinetic modeling to predict reaction behavior.
Found that surface structure significantly influences hydrogen evolution rates.
Identified optimal conditions for hydrogen production on nickel phosphides.

Implication

Electrochemical modeling reveals how surface structure affects hydrogen evolution on nickel phosphides, suggesting optimization strategies.

Abstract

Hydrogen evolution on nickel phosphides (Ni 2 P) is strongly influenced by surface structure and applied potential. Density functional simulations in combination with the constant-potential approach and a hybrid solvation model show...

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Cite This Study

Sadan et al. (2026) studied this question.

synapsesocial.com/papers/69b4fbc1b39f7826a300c2e0 https://doi.org/10.1039/d5cp04301h

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Electrochemical Hydrogen Evolution on Ni ₂ P: Insights from Constant-Potential DFT and Microkinetic Modelling

Key Points

Implication

Abstract

Discussion

Cite This Study

Electrochemical Hydrogen Evolution on Ni ₂ P: Insights from Constant-Potential DFT and Microkinetic Modelling

Key Points

Implication

Abstract

Discussion

Cite This Study

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