Yuan Xianjie, Yin Xiangdi, Zhang Yirui, Chen Yuanpan
School of Mechanical Engineering, North China University of Water Resources and Electric Power, Zhengzhou 450045, China.
Smart Manufacturing Institute, Zhengzhou University of Economics and Business, 2 Shuanghu Ave, Zhengzhou 451191, China.
Materials (Basel). 2025 Aug 27;18(17):4021. doi: 10.3390/ma18174021.
High-entropy alloy (HEA) catalysts have attracted significant attention from researchers. In many cases, HEAs exhibit high activity and selectivity for catalytic reactions due to four "core effects": high entropy effect, lattice distortion effect, slow diffusion effect, and mixing effect. However, a systematic summary of HEA catalyst design and understanding is lacking. In this review, the reasons for the outstanding performance of HEA catalysts are first discussed from multiple perspectives, such as excellent mechanical properties, ultra-high-performance stability, and the potential for compositional optimization. Furthermore, to deepen our understanding of HEA catalysts, the rational design of HEA catalysts is introduced, covering design principles, element selection, and the use of algorithms for prediction. Next, several common preparation methods for HEAs are introduced, including chemical co-reduction, solution combustion, mechanical alloying, and sol-gel methods. Finally, the research progress of HEA catalysts in hydrogen evolution reactions, oxygen evolution reactions, and oxygen reduction reactions is presented. Unlike existing reviews, this work establishes a unified framework connecting HEA fundamentals (entropy effects), computational design, scalable synthesis, and application-specific performance, while identifying underexplored pathways like lattice-oxygen-mediated mechanisms (LOM) for future research.
高熵合金（HEA）催化剂已引起研究人员的广泛关注。在许多情况下，由于高熵效应、晶格畸变效应、缓慢扩散效应和混合效应这四个“核心效应”，高熵合金对催化反应表现出高活性和选择性。然而，目前缺乏对高熵合金催化剂设计与理解的系统总结。在这篇综述中，首先从多个角度讨论了高熵合金催化剂优异性能的原因，如优异的机械性能、超高性能稳定性以及成分优化的潜力。此外，为了加深我们对高熵合金催化剂的理解，介绍了高熵合金催化剂的合理设计，包括设计原则、元素选择以及预测算法的应用。接下来，介绍了几种常见的高熵合金制备方法，包括化学共还原法、溶液燃烧法、机械合金化法和溶胶 - 凝胶法。最后，展示了高熵合金催化剂在析氢反应、析氧反应和氧还原反应中的研究进展。与现有综述不同的是，这项工作建立了一个统一的框架，将高熵合金的基本原理（熵效应）、计算设计、可扩展合成和特定应用性能联系起来，同时确定了像晶格氧介导机制（LOM）这样尚未充分探索的未来研究途径。
