Oxygen-Reconstituted Active Species of Single-Atom Cu Catalysts for Oxygen Reduction Reaction
The catalytic mechanism. (a) Sketch map of the entire ORR mechanism of Cu-N-C single-atom electrocatalyst under ORR working potential. The brown, blue, red, white, and orange balls denote carbon, nitrogen, oxygen, hydrogen, and copper atoms. (b–d) Projected density of state analysis on (b) bare, (c) OH adsorbed, (d) OOH adsorbed Cu-2pd_N-2pd_C(side1), and Cu-2pd_N-2pd_C(side1)-O. “pd” means pyridine.
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