First-principles and experimental insight of high-entropy materials as electrocatalysts for energy-related applications: Hydrogen evolution, oxygen evolution, and oxygen reduction reactions

Abstract

High entropy materials (HEMs) are highly effective as a catalyst and can be synthesized by facile methods. Here, we discuss recent advancements in HEMs for Hydrogen evolution reaction (HER), Oxygen evolution reaction (OER), and Oxygen reduction reaction (ORR) via electrocatalysis. We introduce newly emerged HEMs in different aspects: advanced synthesis, characterization techniques, and computational tools for analysis relating to the surface, lattice, defect, and interface. Additionally, this review provides detailed information on HEMs and their properties. It also explores rational approaches in the design of emerging HEMs based on first-principles calculations. HEMs have potential roles as a catalyst in the field of energy production, energy conversion, and energy storage. The properties of HEMs can be enhanced through the integration of various functional materials, aiming for high resilience and excellent efficacy. In this review, we discussed synthesis of HEMs and their roles in the field of electrocatalysis considering theoretical, experimental, and pragmatic approaches.