Heterogeneous electrocatalysis is central to electrify the society toward carbon neutrality and sustainability. Our research focus is centered at developing the efficient electrocatalytic conversion processes from three aspects: understanding, creating and tuning heterogeneous interfaces in electrocatalysis with specific emphasis on merging molecular tools and heterogeneous surfaces.

1. Understanding and creating local ionic microenvironment for electrocatalysis

Ions can typically adsorb or align themselves via electrostatic or chemical interactions at the electrode-electrolyte interfaces upon applied potentials in electrocatalysis. These ions can create unique microenvironments with gigantic electric fields to affect the electrocatalytic behaviors. Current understanding about the microenvironment at the interface relies on simple ions and simple models, necessitating more comprehensive understanding to establish the correlation between the microenvironment and catalytic behaviors. We created and systematically analyzed the electrochemical environment according to the nature of local interactions (e.g. ion-ion interaction, ion-solvent interaction, ion-electrode interaction and ion-intermediate interaction). Through the analysis, we aim at establishing the correlation among the interaction force, microenvironment structure and the catalytic performance. (Chem, 2022, 8, 2700-2714; Angew, 2021, 61, e2021133162)

2. Understanding the electrocatalytic mechanism using molecular probes

Understanding the mechanism of electrochemical systems is highly beneficial for both fundamental understanding and potential catalyst development. In our group, we tackle the challenging problem of probing transient reactive intermediates under electrocatalytic conditions. By combining molecular probes that can selectively interact with surface structures and in situ characterization techniques such as kinetics and spectroscopy, we aim at understanding the electrocatalytic mechanism on a molecular level. （Angew, 2021, 60, 2-9; J. Am. Chem. Soc., 2021, 143, 1493-1502; ACS. Catal., 2023, 13, 2916-2927）

3. Rational design of surface-tunable heterogeneous catalysts

Understanding and controlling heterogeneous surfaces has been a long-lasting problem in the field of heterogeneous catalysis, but until now most of the catalysts with high efficiency were discovered adventitiously and relatively illy-defined in structures. In this vein, we seek to rationalize the design of heterogeneous catalysts by using molecular tools. Our strategy is to retain the use of active metal sites in heterogeneous surfaces but install molecular handles that allow rich coordination chemistry strategies to molecularly tune the surfaces.（Angew. Chem. Int. Ed., 2023, 63, e202216083; Nat. Comm., 2023, in press）

Electrocatalytic reactions of interest:

1. Anodic oxidation coupled with hydrogen production: Oxygen evolution, Biomass oxidation, Electrooxidation alternatives to the oxidation processes in chemical industry and environmental treatment.

2. Electrochemical hydrogenation or hydrodimerization.