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20152022
most citedVariational density functional calculations of excited states via direct optimization

101 citations · 215 across the 12 of their papers we have counts for

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cond-mat.mtrl-sci2021

Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen Doped Graphene

Björn Kirchhoff, Aleksei Ivanov, Egill Skúlason +3

Experimental studies of the oxygen reduction reaction (ORR) at nitrogen doped graphene electrodes have reported a remarkably low overpotential, on the order of 0.5 V, similar to Pt…