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

16 citations · 26 across the 2 of their papers we have counts for

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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…

cond-mat.mtrl-sci2022★ 10 cited

Interaction of water with nitrogen-doped graphene

Azim Fitri Zainul Abidin, Ikutaro Hamada

We have studied the interaction of water and graphene doped with nitrogen in different configurations, namely, graphitic and pyridinic nitrogen, by means of the van der Waals densi…