In our surface modelling, we built our surface slab based on the XRD and TEM result of the catalyst (In Fig. and Fig. ). The lattice constant of each metal/metal oxides has been calculated. We built 4 layers 4x4 Pt (111) with bottom 2 layers frozen, 4 layers 4x2 Anatase-TiO2(101) with bottom 2 layers frozen, 3 layers CeO2 (111) with bottom 2 layers frozen, and 4 layers 𝛾-Al2O 3(111) with bottom 2 layers frozen. For better accuracy of the surface adsorption calculation, the surface slab located in the centre of cell which the z direction length was 15 Å with the dipole correction. The adsorbate is on the unfixed side of the slab surface, the initial distance between the first layer atom and the adsorbate will set to 2.5-3 Å. For the KPOINTS, 4x4x1, 3x4x1 and 3x3x1 𝛾 point centered Monkhorst-Pack k-point grid is applied to sample the Brillouin zone of Pt (111), Anatase-TiO2(101), and CeO2(111), respectively. For modelling 𝛾-Al2O3, we used the bulk phase structure from the paper 1 to build 𝛾-Al2O3 (111) surface. Figure shows the clean surface structure we mainly use in this paper. These clean surfaces were applied to calculate the adsorption energy of different adsorbates with sampling at 5 different surface sites.