Fig. 4. The free energy diagrams of CO2 reduction to CO (black) and the H2 evolution reaction (red) for (a) Pd (111), (b) Te/Pd (111), (c) 1 ML *H–Pd (111), and (d) 2/3 ML *H–Te/Pd (111). Top views of the first layer of optimized geometries are shown. The light grey, dark grey, gold, red, and white balls indicate Pd, C, Te, O, and H, respectively. We note that * represents a surface site for adsorption.
