Fig. 5: Pourbaix diagrams of real-scale (several nanometer-size) Pt NPs. | Nature Communications

Fig. 5: Pourbaix diagrams of real-scale (several nanometer-size) Pt NPs.

From: Machine learning-enabled exploration of the electrochemical stability of real-scale metallic nanoparticles

Fig. 5

a Pourbaix diagram of Pt561 (Coh). b Pourbaix diagram of Pt3871 (Coh). c Pourbaix diagram of Pt6525 (Coh), which corresponds to ~4.8 nm in diameter. The white, blue, orange, and red shaded area represent bare Pt NPs, OH-covered, O-covered, and Pt dissolution phases, respectively. As the color became darker, more adsorbates are adsorbed. The red and gray spheres of the inset atomic model represent oxygen and platinum atoms, respectively. d Difference in the adsorption energies between the fully O-covered phase (Pt-(O)1ML) and fully OH-covered phase (Pt-(OH)1ML) as a function of NP size. Eads represents the adsorption energy per adsorbate. The 2nd y axis shows the ratio of the number of vertex and edge atoms to the number of terrace atoms as a function of NP size.

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