We are pleased to announce the recent publication of our collaborative work with Prof. Chung-Wei Kung from National Cheng Kung University, titled "Support Effect in Metal–Organic Framework-Derived Copper-Based Electrocatalysts Facilitating the Reduction of Nitrate to Ammonia" in Electrochimica Acta. This study highlights the critical role of underlying support materials in boosting the efficiency and selectivity of copper-based electrocatalysts derived from metal-organic frameworks (MOFs) for converting nitrate to ammonia—a process with significant potential for sustainable ammonia production.
This research focused on developing three copper-based electrocatalysts supported by different materials: ceria/carbon, zirconia/carbon, and pure carbon. These materials were synthesized via thermal carbonization of MOFs embedded with copper sites. Through a combination of experimental techniques and density functional theory (DFT) simulations, we identified key factors influencing the activity and selectivity of copper-based catalysts.
Key Findings:
- Highest Ammonia Selectivity with Ceria Support: Among the three electrocatalysts, copper supported by ceria/carbon (CuCeOx/C) demonstrated the highest selectivity for ammonia production, achieving 73.4% at −1.29 V vs. SHE, outperforming those supported by zirconia/carbon (36.0%) and carbon (47.2%). This indicates that ceria can effectively promote nitrate reduction to ammonia, reducing nitrite formation.
- DFT Insights into Selectivity: DFT simulations revealed that the superior selectivity of CuCeOx/C is driven by a lower energy barrier for the conversion of nitrite to ammonia on the ceria-supported copper surface. The ceria support facilitates the key step in ammonia synthesis by enhancing the hydrogenation of nitrite intermediates, leading to improved selectivity over other products.
This research, a collaborative effort with Prof. Chung-Wei Kung, advances the design principles of MOF-derived electrocatalysts, emphasizing the importance of selecting appropriate support materials to improve the catalytic performance of copper-based systems. The findings offer new strategies for optimizing electrocatalysts for nitrate reduction, a key process for sustainable ammonia synthesis.
For more details, please access the full publication here.