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. 2023 Mar 16;3(4):1162–1175. doi: 10.1021/jacsau.3c00038

Figure 4.

Figure 4

ORR mechanisms on Pt75.0Ni25.0(111), Pt75.0Ni22.3Mo2.7(111), and Pt83.5Ni13.8Mo2.7(111). (a) Free energy profiles of ORR on three (111) surfaces at different PtNiMo compositions. (b) Structures of key reaction intermediates on Pt75.0Ni22.3Mo2.7(111). The atoms above the surface plane are depicted in the ball-and-stick style, while other atoms are depicted in the CPK style. Blue balls are Pt; violet balls are Ni; cyan balls are Mo; red balls are O; white balls are H. (c) Overall free energy barrier (ΔG) for ORR on five different surfaces of Pt83.5Ni13.8Mo2.7.