Coordination structure engineering of Cu-based electrocatalysts for electrocatalytic water splitting

Electrocatalytic water splitting represents a prospective technology with significant potential in the field of clean energy conversion. However, it faces several challenges, including the lower energy conversion efficiency and transport efficiency of ions/electrons. A comprehensive understanding of the local electronic coordination structure and charge transfer behavior of electrocatalysts is crucial for optimizing their catalytic performance. In this study, we aim to investigate the impact of the coordination structure of Cu-based electrocatalysts on the activity. Furthermore, we provide suggestions for modulating the local electronic structure, thus reducing adsorption/activation energy for water and intermediates, and enhancing electronic conductivity. First, we delve into the mechanism and descriptors of electrocatalytic water splitting. Subsequently, we scrutinize the challenges inherent in the process focusing on electrocatalytic water splitting mechanism. More importantly, we elaborate on the engineering and alterations of coordination structures in electrocatalytic water splitting process through in- or ex- situ spectroscopy. Additionally, we underscore the application of machine learning in predicting the correlation between local electronic structure and activity. Finally, we identify the opportunities and outline associated with Cu-based electrocatalysts for water splitting.