【Objective】The adsorption of heavy metals in soils/minerals is one of the key processes for heavy metal pollution remediation. Owing to an insufficient in-depth understanding of the unique properties of soils/minerals, the interfacial reaction mechanism of heavy metal adsorption remains unclear. Therefore, this study aimed to investigate the regulatory effects of polarization on heavy metal adsorption at the soil/mineral interface, and quantitatively clarify the contribution of each interaction force to the total adsorption energy.【Method】Based on orbital hybridization theory, combined with surface property evaluation, heavy metal ion adsorption experiments, and Fourier-transform infrared (FTIR) spectroscopy, it was systematically investigated the regulatory effects of polarization on heavy metal adsorption at the soil/mineral interface, and quantitatively clarified the contribution of each interaction force to the total adsorption energy. 【Result】The results showed that: (1) Both the specific surface area and surface charge quantity followed the order: permanent-charged montmorillonite > permanent-charge-dominated purple soil > variable-charged yellow soil. However, the surface negative charge density and negative electric field strength generally followed the sequence of purple soil > yellow soil > montmorillonite. (2) The surface charge density and electric field strength of soils/minerals increased with increasing pH, and exhibited a significant ion specificity. The adsorption capacity followed Pb2+ > Zn2+ > Cu2+ > Cd2+ on the montmorillonite surfaces, and Pb2+ > Cu2+ > Cd2+ > Zn2+ on purple soil surfaces at low concentrations. As the equilibrium concentration increased, the adsorption rate of Cu2+ gradually became lower than that of Cd2+ and Zn2+, following Pb2+ > Cu2+ > Cd2+ > Zn2+ on yellow soil surfaces. (3) The polarization effects enhanced the heavy metal adsorption ability, and the adsorption capacity of heavy metal cations followed montmorillonite > purple soil > yellow soil. (4) The adsorption energy was negatively correlated with ionic strength but positively correlated with pH. The components of adsorption energy followed the order: Coulomb energy > Covalent energy > Polarization energy, indicating that the covalent and polarization forces, dependent on the polarization effects, were still weaker than the Coulomb force. (5) The polarization effects of heavy metals played a crucial regulatory role in their adsorption. Moreover, the adsorption intensity could be regulated by the polarization effect through the surface electric field, which depended on pH and surface charge density (the ratio of surface charge quantity to specific surface area). 【Conclusion】This study revealed the quantum mechanism of heavy metal adsorption on soils/minerals from the perspective of micro-interfacial behavior, laying a theoretical foundation for the development of soil heavy metal passivation/activation regulation technologies.