Research Projects

Electrochemical CO₂ reduction performance of dual-atom catalysts (DACs) is greatly influenced by the nature of the metal sites, their spatial arrangement, and the local coordination environment. Precise control over these atomic-scale characteristics is therefore vital for promoting C–C bond formation and enhancing selectivity toward multicarbon (C₂+) products. However, C–C coupling remains a significant challenge in DACs attributable to strong *CO adsorption at the metal–metal bridge site, which limits the generation of key dimeric intermediates for example *CO–CO and *CO–CHO. Rational tuning of the DAC structure–by modulating the metal combination (homonuclear or heteronuclear) and engineering the coordination environment can further alter the electronic properties and spatial configuration of active metal sites. Such control can reveal favourable binding configurations, promote intermediate stabilization, and overcome kinetic and thermodynamic barriers allied with C–C coupling. To address this, dual-atom catalysts will be prepared with tunable coordination structures by choosing suitable metal combinations and anchoring environments (for example N-doped carbon, defects, or porous frameworks). These structural changes aim to enable synergistic interactions among metal atoms and enhance the accessibility of dual adsorption sites for *CO intermediates. Further, mechanistic understanding will be gained via In-situ/operando vibrational spectroscopy (FT–IR and Raman) techniques, which allows real-time tracking of surface-bound key intermediates such as *CO, *CHO, as well as *CO–CO dimers under electrochemical conditions. These techniques also enable monitoring of oxidation state changes in the metal centers, providing direct insights into active site dynamics and the reaction pathway. By integrating the cutting-edge structural design with mechanistic investigations, this research project aims to establish a fundamental structure–activity relationship in DACs, enabling the development of efficient and selective electrocatalysts for C–C coupling and sustainable CO₂ utilization.