Fig. 4. DFT calculation.
Partial radial distribution function, g(r), with the bulk amorphous a aRuO2, b aRuO1.75, and c aRuO1.50 structures, where the highest peak for the Ru–O, O–O, and Ru–Ru bond pairs is denoted by black, red, and blue dotted lines. d Stability of amorphous surfaces under oxygen-rich condition. e Top view of amorphous RuOx surfaces. Calculated Gibbs free energy diagrams of aRuO2.08 surface for f AEM and g LOM. In a, b, c, e, f, g, Ru, O, H atoms are denoted by violet, yellow, and white spheres, respectively. Darker RuOx polyhedra denote highly undercoordinated Ru atoms.
