Discovering high-entropy electrocatalysts through a batch-alloy targeting approach

Abstract

The challenge of high-entropy materials as functional materials generally lies in the vast compositional space, presenting seemingly endless elemental combinations for composition design. Using electrocatalytic oxygen evolution reactions (OERs) as a typical example, we introduce a “batch-alloy targeting” approach to quickly and effectively identify materials with high activity and thermodynamic stability. We fuse potentially active elements into a rough-guess alloy, creating a library of several distinct stable phases with varied compositions and structures. By assessing the extent of surface restructuring as an indicator of OER activity, we can target the optimal composition for subsequent materials design. This method successfully led to the discovery and development of a nanoscale phase-separated alloy exhibiting high activity and stability. Our methodology offers an efficient and rapid approach to exploring the compositional space of high-entropy materials. It strikes a balance between one-shot experiments and high-throughput preparation, achieving both efficiency and equilibrium.