High entropy materials: potential catalysts for electrochemical water splitting

Abstract

High entropy materials (HEM) have been attracting much attention as emerging catalysts for electrochemical water splitting. HEM catalysts have unique properties such as an interesting cocktail effect, broad design space, customizable electronic structure, and excellent entropy stabilization effect compared with single-digit catalysts. This paper provides a comprehensive overview of the use of HEM as a catalyst for hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and water splitting. HEM design strategies including phase structure modulation, defect engineering, electrode configuration engineering, and computational aids are discussed to develop HEM catalysts with high performance and stability. In particular, the importance of density functional theory, high-throughput screening techniques, and machine learning for the discovery and design of HEM catalysts is emphasized. Finally, the challenges and imminent difficulties are prospected, and the corresponding strategies to deal with these challenges are put forward to promote the development of HEM catalysts in the field of electrochemical water splitting.