pH-Dependent Electroreduction of Nitrate on Fe Single-Atom Catalyst.

Electrochemical nitrate reduction reaction (NORR) has received considerable attention due to its potential for the denitrification of wastewater and sustainable NH production. Among various catalysts for NORR, Fe-N-C single-atom catalyst has attracted significant interest due to its well-defined active sites and high stability across various media. Here, we investigate the pH dependence of NORR on Fe-N-C by combining experiments and density functional theory (DFT) calculations.