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Single atom Co‐N‐C can be used as a  low‐cost cathode catalyst for Li‐O2 batteries (LOBs) with abundant highly active sites and  high  efficient  atom  utilizations.  In  the  present work,  hierarchical  porous  single  atom  Co‐N‐C  catalyst was  prepared through  acid  etching  from  a  Co/Co‐N‐C  intermediate,  featuring  an  efficient  slack  of  volume  expansion,  easy  mass transmission via  the  interconnected  carbon‐framework, and  sufficient  surface area  to accommodate discharge products. The single atom Co‐N‐C catalyst exhibited a superior catalytic capacity for LOBs with a large specific capacity of 14075 mAh g anda long cycle life of 340 cycles. The oxygen reduction reaction (ORR) / oxygen evolution reaction (OER) mechanisms of the discharge products of single atom Co‐N‐C catalyst were identified by using density functional theory (DFT) calculations, showing avenues for improving the future design of single atom catalyst.

Experimental And Theoretical Characteristic Of Single Atom Co-N-C Catalyst For Li-O2 Batteries