Dr Ye Chen - Student Seminar Presentation - February 26 2015

C5MPT Student Seminars

Dr. Ye Chen

University of Alberta,

Chemical and Materials Engineering

February 26, 2015 | ETLC 6-060

10:00 am






DFT research on the electronic property and surface adsorption of sulfide minerals


Density functional theory (DFT) is used to investigate the semiconductor electronic properties of sulfide minerals, surface properties and reagent molecule adsorption on the mineral surface.

The electronic properties of different copper sulfide minerals have been calculated, and the relationship between electronic properties and flotation behaviors of copper sulfide minerals has been studied. The effects of impurities on sphalerite lattice structure and electronic properties have been discussed. The adsorption mechanisms of reagent on different sulfide mineral have been studied. Moreover, the essential difference in the water adsorption on the hydrophobic and hydrophilic mineral surfaces has been discussed.