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The reaction mechanism for the ORR on Fe–N 3 -Gra is investigated theoretically. Our results indicate that the ORR is a direct four-electron process, and the kinetically most favorable pathway is O 2  hydrogenation.

A direct four-electron process on Fe–N3 doped graphene for the oxygen reduction reaction: a theoretical perspective

A direct four-electron process on Fe–N₃ doped graphene for the oxygen reduction reaction: a theoretical perspective