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• MEA, DEA, and TEA are successfully loaded onto UiO-66 by impregnation method to obtain MOFs-based materials modified with different spatial site resistance amines. • Under the coordination of physical and chemical adsorption forces, UiO-66-T has a good adsorption capacity for low concentration H 2 S at room temperature and pressure. • The larger spatial dimension of the TEA in UiO-66-T allows ideal gas mass transfer kinetics for interaction with H 2 S. • The conformation of UiO-66-T interacting with H 2 S is demonstrated to be stable at the molecular level by DFT calculation. In order to treat hydrogen sulfide(H 2 S), a series of amine-modified MOFs with high sulfur capacity are prepared by impregnating UiO-66 with different steric hindrance amines (MEA, DEA, TEA). Among them, the UiO-66-T material modified by TEA not only well maintains the high specific surface area and micropore structure of the raw material, showing the specific surface area of 257 m2/g and the pore volume of 0.18 cm3/g, but also shows the high hydrogen sulfide adsorption capacity of 2.79 mmol/g. This is because the action of steric hindrance makes the TEA molecules suitable for the 9 × 9 × 9 Å space box fail to enter the micropore depth when entering UiO-66 with 8 Å and 11 Å double-pore cage structure. Therefore, it is difficult for amine molecules to interact with the metal center of the MOFs structure, so that the modified UiO-66-T not only maintains the porosity and stability of the raw material, but also increases the acid-base interaction force with hydrogen sulfide by introducing amine molecules. The binding energy of both is 352.84 kJ/mol, and it has a stable adsorption binding configuration. The penetration experiment results show that the adsorption capacity of hydrogen sulfide is determined by the amine load on the surface of the adsorbent. The mass transfer kinetics of UiO-66 series materials is analyzed by using the quasi-first-order kinetic model, quasi-second-order kinetic model and internal diffusion model. The correlation coefficients R2 fitted between the model and the experimental results are all above 0.9. Therefore, the effect of van der Waals force on the adsorption process of UiO-66 series materials and hydrogen sulfide is greater than that of chemical bond force, and intra-particle diffusion is the actual key step and main diffusion mechanism in the adsorption process of H 2 S. [ABSTRACT FROM AUTHOR]