Comparative Study on Surface Structure, Electronic Properties of Sulfide and Oxide Minerals: A First-Principles Perspective
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DOI: 10.3390/min9060329
Abstract: First-principle calculations were used to investigate the surface structure and electronic properties of sulfide (pyrite, galena, and sphalerite) and oxide minerals (hematite, cerussite, and smithsonite). Surface relaxation and Femi energy, as well as projected DOS,… read more here.
Keywords: surface; oxide minerals; structure electronic; electronic properties ... See more keywords