Figure 10.

Reaction energy diagram for total hydrogenation of acetylene on CeO₂ (111) catalyst. Energies are computed as a reference to the energy of H₂ and C₂H₂ in the gas phase and the clean CeO₂ (111) slab. Black line shows the routes of partial hydrogenation of acetylene to ethylene through R5, light brown displays the partial hydrogenation via dissociative acetylene adsorption, and red line represents the full hydrogenation to C₂H₆. The asterisk denotes a clean CeO₂ (111) surface. Reactants, intermediates, and products that are followed by an asterisk correspond to the adsorbed species. The asterisk in reactants, products, and intermediates correspond to adsorbed moieties [125].