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Keywords
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oxygen reduction reaction (ORR), metal-free
catalysts,GeN3-graphene, Reaction mechanism, DFT
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Abstract
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As one of the potential candidates for
electrocatalysis, metal free and nitrogen co-doped graphene
has attracted extensive attention in recent years. In this work,
the structural stability and ORR mechanism of GeN3
embedded graphene have been Studied theoretically. The
kinetically most favorable reaction pathway for ORR is a
four-electron process. The kinetically main favorable
pathway is O2 dissociation, in witch rate-determining step is
the O atom hydrogenation into OH with an energy barrier of
1.41 eV.
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