Fig. 5: The (111) surface of CoSi.

a, b The side and top views of stable adsorption site on (111) surface with Co-layer. c Reaction coordinate diagram when H is adsorbed on (001) surface and (111) surface with Co-layer, Si-layer, and CoSi-layer. d, e The constant energy surfaces of (001) and (111) surfaces, respectively, in case the energy is fixed at the energy of the high-fold degenerate point.