Fig. 5: Adsorption energies of reaction species on nickel-promoted In2O3 catalysts.
From: Nanostructure of nickel-promoted indium oxide catalysts drives selectivity in CO2 hydrogenation
Visualization of the structures of Ni-In2O3 catalysts with 1 and 15 wt.% nickel content loading (top), surfaces representative of the different catalyst constituents generated by DFT (middle), and adsorption energies (Eads) of species relevant to the reaction associated with them (bottom). The multiple energy levels for individual species for models containing nickel layer relate to the presence of a distinct number of oxygen atoms. The subscript v stands for vacancy. CO2 adsorption at the boundary between unpromoted In2O3(111) and a strip of Ni(111) (layer equivalent to Ni36-In2O3−v) is shown in Supplementary Fig. 11.
