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In this study, we use density functional theory to investigate the catalytic activity of graphene (G), single vacancy defective graphene (GSV), quaternary N-doped graphene (NGQ), and pyridinic N-doped graphene (NGpy, 3NGpy, and 4NGpy) on C0001) substrate for an oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). The results show pyridinic N-doped graphene on a Co support exhibited better performance than the NGQ on a Co support and free-standing systems. According to the results, ORR intermediates (*OOH, *O

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