Density Functional Theory Research on Activation of Sphalerite

3 Density Functional Theory Research on Activation of Sphalerite 

Sphalerite, which is also known as Blende, is an important mineral of zinc. Most natural sphalerite contains iron more or less in lattice with the amount depending on the chemical environment and temperature (Lusk et al., 1993). High iron sphalerite is called marmatite. The studies of the electronic structure and surface properties of ZnS and transition metal doped ZnS are of interest from both a fundamental and practical perspective. As discussed in Chapter 6, sphalerite has 

We employ density functional theory to calculate the electron structures of bulk sphalerite, and the pure and doped ZnS (110) surface in order to explain the effect of Cu and Fe ions on the properties of ZnS and the mechanism of activation flotation of sphalerite. 

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