【Objective】The interactions between heavy metals and mineral particles play a key role in the passivation/activation of heavy metals, significantly impacting on soil health, food safety and ecological stability. However, quantitative characterization of the type and intensity of these interactions remains challenging. 【Method】Based on orbital hybridization theory, this study quantitatively evaluated the polarization, polarization-induced covalent interactions and Coulomb interactions of the heavy metal Pb2+ on mineral surfaces.【Result】The results show that: (1) The surface charge number follows the order: montmorillonite > silica > kaolinite > hematite. However, the order of surface negative charge density and electric field strength is kaolinite > silica > montmorillonite > hematite, due to differences in specific surface area. (2) The adsorption capacity of Pb2+ depends on the surface charge number, consistent with its trend, while the adsorption strength is governed by the surface electric field. (3) Effective charge coefficients of Pb2+ on soil mineral surfaces, quantified using orbital hybridization theory, averaged as follows: kaolinite (1.848 ± 0.038) > montmorillonite (1.782 ± 0.062) > silica (1.615 ± 0.029) > hematite (1.516 ± 0.036). Based on the effective charge coefficient, the type and intensity of the adsorption force of Pb2+ on mineral surfaces could be assessed. (4) The adsorption of Pb2+ on the surfaces of montmorillonite, kaolinite, and silica is primarily driven by Coulombic forces, which account for more than half of the total adsorption energy. In contrast, adsorption on the surface of hematite is mainly governed by covalent interactions, contributing approximately 65%. Additionally, polarization effects depended on the surface electric field and polarization-induced covalent interactions play a crucial regulatory role in the adsorption of Pb2+. (5) Infrared spectroscopy analysis revealed that the absorption peak of the Si-O bond on the surface of silicon-containing minerals shifted to higher frequencies (blue shifts) as the surface electric field increased. This shift indicates an enhanced polarization-induced covalent interaction between O atoms and Pb2+ on the mineral surfaces. Also, the strong electric field on the surface of hematite enhances the polarization of the -OH group and H2O molecules, leading to the formation of covalent interactions between Pb2+ and -OH groups. Consequently, the Fe-O-Fe bonds are strengthened as the pH increases. 【Conclusion】This study demonstrates that the adsorption of Pb2+ on the surface of soil minerals has polarization and polarization-induced covalent effects, and quantitatively evaluates its contribution. The effective charge coefficient of Pb2+ increases with the increase of surface electric field strength, and the polarization and polarization-induced covalent interaction between mineral surface and Pb2+ increase with the increase of pH. This indicates that polarization and polarization-induced covalent interaction have an important influence on the interaction between Pb2+ and the mineral surface. Additionally, this research establishes a theoretical foundation for the directional regulation of heavy metal passivation/activation in soils through modulation of interfacial forces.