“…In the last decade, numerous atom‐doped graphene materials (e.g., B, N, O, Si, P, S, Fe, Mo, Ag) have been experimentally synthesized, 24–26,37,38 and it is worth noting that the TM‐SADGr models have been widely reported as electrochemical reaction catalysts by DFT researches 39,40 . For the low‐temperature NO x reduction, we build models of single‐atom‐doped graphene (SADGr) by replacing a C atom with a single metal atom (Figure 1A).…”