most citedOxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model

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cond-mat.mtrl-sci2024★ 16 cited

Oxygen Reduction Reaction on Single-Atom Catalysts From Density Functional Theory Calculations Combined with an Implicit Solvation Model

Azim Fitri Zainul Abidin, Ikutaro Hamada

We present a density functional theory study of the oxygen reduction reaction (ORR) on a single atom catalyst embedded in graphene, namely, TM-N-C (TM = Fe and Co), using the…