Figure 2 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 2

Caption

(a-c) Electric field effects on the adsorption free energies of ORR adsorbates. Determination of the PZCs in M-N-C catalysts using an explicit solvation model: (d) illustration of the PZC calculation workflow; (e) the work function (WF) of materials in ion-free water is utilized to calculate PZC; (f) PZCs of the two typical M-N-C configurations: M-pyrrole-N4 and M-pyridine-N4. (g) Calculated 1D surface Pourbaix diagram and (h) pH- and RHE-dependent 2D surface Pourbaix diagrams.

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Hao Li et al.

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