Boosting electrochemical urea synthesis via nitrous oxide and carbon oxide coupling over homonuclear dual-atom catalysts:a computational study
摘要
Developing efficient electrocatalysts for urea synthesis is attracting increasing attention but remains challenging due to the lack of simplified mechanisms and suitable feedstock.In this work,urea synthesis on dual transition metal atom-anchored graphitic carbon nitride(TM_(2)@g-C_(2)N)via N_(2)O and CO as N and C sources was investigated using density functional theory(DFT)calculations.By employing a three-step screening strategy,we systematically studied homonuclear dual-atom pairs embedded in g-C_(2)N for their catalytic stability,activity,and selectivity.
