In proton exchange membrane fuel cells (PEM), the sluggish cathodic oxygen reduction reaction (ORR) is the rate-limiting step. Currently, platinum and its alloys are used to catalyze this reaction; however, as Pt is costly and susceptible to poisoning, it is critical to find new alternative nonmetallic catalysts. To this end, N8 polynitrogen (PN) has shown great promise as a high energy density material and as a catalyst for PEM fuel cells. ZEZ N8- PN was synthesized at ambient conditions using cyclic voltammetry; this PN was shown to withstand poisoning and display excellent ORR activity. Here, density functional theory calculations are used to elucidate the ORR mechanism in both alkaline and acidic conditions.

Oxygen reduction reaction mechanism on N8 polynitrogen

ACS Fall 2021

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