Theoretical study on the influence of the extra N in transition metal-N4 embedded graphene as efficient CO2 reduction catalysts
Applied Surface Science(2023)
摘要
•The extra nitrogen in MN4 embedded graphene has been studied as CO2 reduction catalysts.•MnN4 joined by uncoordinated pyridinic and pyrrolic N shows the best catalytic activity for producing HCOOH.•CoN4 joined by uncoordinated pyridinic and pyrrolic N shows the best catalytic activity for producing CH3OH.
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关键词
Extra nitrogen,CO2 reduction,Density functional method,Electrocatalysis,Low limiting potentials
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