In this paper, we use Vienna Ab initio simulation package(VASP) for the atomic scale modelling from first principle. The projector-augmented-wave (PAW) formalism was introduced to re-expand the electron density in the reciprocal space. The energy cutoff of valence electrons were set up to 500eV and the Methfessel-Paxton smearing with width of 0.2 eV was used. We employed revised Perdew-Burke-Ernzerhof (RPBE) functional to describe the exchange-correlation effects, which works well in surface. For the long-term interaction / dispersion correction, the Grimme D3 was applied in all the calculations, because the van der Waals attraction between biomass carbon chain and the surface should be well considered and descripted. The kpoint sampling 7 3x3x1 used for metal oxides CeO2(111) and 𝛾-Al2O3(111), and 3x4x1 used for Pt(111) and Anatase-TiO2(101) surfaces. The surface structures are shown in Fig.