Effects of Two-element Lattice Impurities (Cd, Cu, Pb) on Crystal Structure and Electronic Property of Sphalerite

作者：Baolong Luo, Tao Wei, Zhiqiang Wu, Xiaoqin Tang, Ye Chen, Jianhua Chen · 发表于：MetaResource · 年份：2025 · DOI：10.23919/metar.2025.000004 · 被引用次数：8 · 研究领域：Minerals Flotation and Separation Techniques、Metallurgical Processes and Thermodynamics、Metal Extraction and Bioleaching

Flotation is the principal beneficiation method for sphalerite. Sphalerite with different lattice impurities exhibits varied electronic properties and flotation behavior. The crystal structure, band structure, density of states and frontier orbital of Cd-Pb-doped and Cd-Cu-doped sphalerite were studied based on density functional theory (DFT). The calculation results show that the formation of Cd-Pb-doped sphalerite is more difficult than that of Cd-Cu-doped sphalerite. Moreover, the Cd-Pb and Cd-Cu impurity in sphalerite could enhance its conductivity, promote oxidation and improve its interaction with xanthate, thereby influencing the floatability of sphalerite.