ArticleACS omega2026
Calculation Method for Hydrogen Evolution and Adsorption on Ir, Pt, and Ir-Pt Nanocatalysts Supported on Porous Carbon Electrodes in Water Electrolysis.
Article in ACS omega, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The Tafel exchange current density for the electrochemical hydrogen evolution reaction (HER) in water electrolysis was systematically evaluated on iridium (Ir) nanoelectrodes using first-principles computational methods. For the first time, the transition from crystalline (metallic) to amorphous structural regimes in Ir nanoclusters is explicitly correlated with variations in exchange current density, as determined from density functional theory (DFT) calculations. The results reveal a pronounced maximum in the exchange current density associated with the structural transformation from ordered crystalline to disordered amorphous phases under acidic conditions. This enhancement is attributed to modifications in the local electronic structure and active site distribution induced by amorphization. The theoretically predicted exchange current densities are in quantitative agreement with available experimental measurements, thereby validating the computational approach. DFT calculation predicts that for small iridium nanoparticles (NPs) (20-50 atoms), the exchange current density for the HER in acidic media is around 1.1 (mA/cm
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