Modulating Interfacial Water Structure via Catalyst Engineering to Enhance Electrocatalytic Activity and Selectivity

Renewable electricity-driven electrocatalytic technology plays a crucial role in clean energy conversion and the realization of a net-zero carbon emission future. Previous research has predominantly focused on regulating the adsorption behavior of reaction intermediates via catalyst engineering to enhance electrocatalytic performance. Such studies have only been centered on the solid phase at the solid-liquid interface. However, the effect of catalyst structural engineering on the liquid phase is equally crucial and has long been insufficiently emphasized. Interfacial water with unique structural configurations and dynamic properties has been shown to regulate critical steps in electrocatalytic reaction. Therefore, we are motivated to write this review, in order to systematically overview the research progress and key challenges in this area. This review first introduces the fundamental properties for interfacial water, including structural types and molecular orientation. Subsequently, a series of advanced experimental characterization techniques and computational methods are provided to detect interfacial water, which is crucial for obtaining accurate structural information. More importantly, we highlight various modulation strategies of the precise catalyst structure engineering to optimize interfacial water dynamics and boost electrocatalytic performance. Finally, we discuss the challenges and emerging perspectives in this fast-developing field, providing valuable insights for guide future research directions.