High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation

Xiaoliang Zhang; Cong Li; Weibing Wu; Weiwei Li

doi:10.1088/2516-1075/ae164c

journal article Oct 31, 2025

High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation

Xiaoliang Zhang

Cong Li

Weibing Wu

Weiwei Li

Electronic Structure Vol. 7 No. 4 pp. 043001 · IOP Publishing

View at Publisher Save 10.1088/2516-1075/ae164c

Abstract

Abstract
Water electrolysis represents a critical pathway towards sustainable hydrogen production within the global green energy landscape. The oxygen evolution reaction (OER), the kinetically limiting anodic process, necessitates the development of highly active and durable electrocatalysts. High-entropy materials, offering unparalleled compositional diversity and inherent multi-component synergistic effects, have emerged as promising candidates to address the OER bottleneck. While recent reviews have explored various aspects of high-entropy electrocatalysts (HECs), a comprehensive understanding of the atomic-level design and modulation strategies that govern their exceptional OER performance remains a critical gap. This review aims to bridge this gap by focusing on the atomic-level insights crucial for designing and optimizing HECs. We first examine advancements in machine learning-assisted atomic-level design strategies for OER HECs. Subsequently, we delve into five key atomic-level modulation approaches: tailoring local atomic coordination environments, engineering atomic interface architectures, manipulating intrinsic lattice strain, controlled introduction of atomic-scale defects, and exploiting synergistic multi-site atomic interactions. Finally, we delineate future research directions to accelerate the rational design and practical implementation of efficient and robust HECs under demanding operating conditions.

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Details

Published: Oct 31, 2025
Vol/Issue: 7(4)
Pages: 043001
License: View

Authors

State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China

Funding

National Natural Science Foundation of China Award: 12304060

Hainan Provincial Natural Science Foundation of China Award: 225QN214

Scientific Research Project of Tongling University Award: 2024tlxykjZD03

Talent Startup Project of Tongling University Award: 2024tlxyrc028

Cite This Article

Xiaoliang Zhang, Cong Li, Weibing Wu, et al. (2025). High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation. Electronic Structure, 7(4), 043001. https://doi.org/10.1088/2516-1075/ae164c

High-entropy electrocatalysts toward high-performance oxygen evolution reaction: a perspective from atomic-scale electronic structure modulation

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