Euichan Yoo

Introduction Click to copy section linkSection link copied! The nitrogen cycle is a crucial biogeochemical pathway that has been disrupted by artificial nitrogen fixation and human industrial activities, leading to the excessive accumulation of nitrate (NO3–). (1,2) Sustainable electrocatalytic reactions are being investigated, particularly the electrochemical NO3– reduction reaction (NO3RR), which aims to convert surplus NO3– to valuable chemical, NH3, via deoxygenation and hydrogenation steps.

DFT Simulation to Clarify the Role of Cu Clusters During Nitrate Reduction on Fe–N–C Given the promise of FeCu–N–C as a tandem electrocatalyst, understanding the dynamic behavior of Cu under reductive potentials is critical. Under reductive potentials, isolated Cu atoms tend to aggregate into clusters, which can introduce new active motifs and simultaneously perturb neighboring Fe–N–C sites within the same carbon matrix.