Site-resolved exploration of high-entropy alloy hydrogen evolution reaction catalysts via interpretable modelling and high-throughput density functional theory

Physical Chemistry Chemical Physics 2026

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Authors: Hui Yang, Delin Yuan, Hui Wei, Zhe Zhou, Zhou‐jun Wang, Chaonan Cui
DOI: 10.1039/d6cp01351a
Cited by: 1
References: 37

Abstract

), compositions with a higher probability of exposing near-thermoneutral active sites are statistically identified, enabling rational identification of promising HEA catalyst candidates.

Fields of Study & Subjects

High Entropy Alloys Studies Electrocatalysts for Energy Conversion Machine Learning in Materials Science

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
27
Pages
16442–16447
Publication date
1 January 2026
Language
EN