MBenes-supported single-atom catalysts for oxygen reduction and oxygen evolution reactions by first-principles study and machine learning

Open Access

Figure 5

(A) The volcano plot of ΔG_OH* versus −η^ORR as well as (B) ΔG_O* − ΔG_OH* versus −η^OER on TM-M₂B₂O₂. The contour maps of (C) ORR and (D) OER catalytic activity on TM-M₂B₂O₂ with ΔG_O* − ΔG_OH* and ΔG_OH* as variables (TM = 4d/5d period atoms; M = Ti, Mo, and W). Here the potential-determining steps are labeled.

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