A theoretical investigation on the OER and ORR activity of graphene-based TM-N3 and TM-N2X (X=B, C, O, P) single atom catalysts by density functional theory calculations

Single-atom catalysts (SAC) have shown promising activity in electrocatalysis, such as CO2 reduction (CO2RR), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). Transition metal-embedded N-doped graphene (M-N-C) with TM-N4...