A DFT study on the effect of lattice impurities on the electronic structures and floatability of sphalerite

Minerals Engineering

Volumn 23, Issue 14, 2010, Pages 1120-1130

  Chen, Ye ^a   Chen, Jianhua ^a   Guo, Jin ^a  

^a GUANGXI UNIVERSITY   (China)

Author keywords

Froth flotation; Simulation; Sulfide ores

Indexed keywords

BAND GAPS; DFT STUDY; ELECTROPHILICITY; FLOATABILITY; FORBIDDEN BAND; FRONTIER MOLECULAR ORBITALS; HIGHEST OCCUPIED MOLECULAR ORBITAL; IMPURITY STATE; LATTICE IMPURITIES; LATTICE PARAMETERS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NUCLEOPHILICITIES; OXIDIZATION; P-TYPE; SEMICONDUCTOR-TYPE; SIMULATION; SULFIDE ORES;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FROTH FLOTATION; GERMANIUM; LEAD; MANGANESE; MANGANESE COMPOUNDS; MERCURY (METAL); MOLECULAR MODELING; MOLECULAR ORBITALS; ORE TREATMENT; TIN; ZINC SULFIDE;

IMPURITIES;

EID: 77958082517     PISSN: 08926875     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mineng.2010.07.005     Document Type: Article

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