Quantum-mechanical study of effect of lattice defects on surface properties and copper activation of sphalerite surface

Transactions of Nonferrous Metals Society of China (English Edition)

Volumn 20, Issue 6, 2010, Pages 1121-1130

  Chen, Jian Hua ^a   Chen, Ye ^a   Li, Yu Qiong ^a  

^a GUANGXI UNIVERSITY   (China)

Author keywords

Copper activation; DFT calculation; Lattice impurity; Sphalerite

Indexed keywords

BAND GAPS; CD ATOM; CD IMPURITIES; COPPER ACTIVATION; CU ATOMS; D ORBITALS; DFT CALCULATION; EFFECTS OF IMPURITIES; ELECTROCHEMICAL ACTIVITIES; IMPURITY LEVEL; IN-BAND; LATTICE DEFECTS; LATTICE IMPURITIES; MN IMPURITY; QUANTUM-MECHANICAL STUDY; SURFACE CONDUCTIVITY;

ATOMS; BEARINGS (STRUCTURAL); CONDUCTION BANDS; COPPER; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; MANGANESE; MANGANESE COMPOUNDS; MECHANICAL PROPERTIES; SEMICONDUCTING GALLIUM COMPOUNDS; SURFACE DEFECTS; SURFACE PROPERTIES; SURFACE STRUCTURE; ZINC; ZINC SULFIDE;

IMPURITIES;

EID: 77955340868     PISSN: 10036326     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-6326(09)60266-1     Document Type: Article

References (19)

1. JO LEPPINEN FTIR and flotation investigation of the adsorption of ethyl xanthate on activated and non-activated sulfide minerals [J] International Journal of Mineral Processing 30 1990 245 263
2. Xiong TONG, Shao-xian SONG, Jian HE Activation of high-iron marmatite in froth flotation by ammoniacal copper(II) solution [J] Mineral Engineering 20 9 2007 259 263
3. Dian-zuo WANG, Bai-xi JIAN Mineral processing handbook [M] 1999 Metallurgy Industry Press Beijing 26 (in Chinese).
4. SL HARMER, VA MIERCZYNSKA, DA BEATTIE, JG SHAPTER The effect of bulk iron concentration and heterogeneities on the copper activation of sphalerite [J] Mineral Engineering 21 11 2008 1005 1012
5. Xiao-yong XIONG Effect of the iron content of zinc sulphide concentrates on their semi-conductivity and chemical reactivity [J] Nonferrous Metal 41 4 1989 55 66 (in Chinese).
6. A BOULTON, D FORNASIERO, J RALSTON Effect of iron content in sphalerite on flotation [J] Mineral Engineering 18 9 2005 1120 1122
7. SL HARMER, LV GONCHAROVA, R KOLAROVA, WN LENNARD Surface structure of sphalerite studied by medium energy ion scattering and XPS [J] Surface Science 601 2007 352 361
8. MC PAYNE, MP TETER, DC ALLAN, TA ARIAS, JD JOANNOPOULOS Iterative minimization techniques for ab initio total energy calculation: Molecular dynamics and conjugate gradients [J] Reviews of Modern Physics 64 1992 1045 1097
9. JP PERDEW, Y WANG Accurate and simple analytic representation of the electron-gas correlation energy [J] Physical Review B 45 1992 13244 13249
10. D VANDERBILT Soft self-consistent pseudopotentials in a generalized eigenvalue formalism [J] Physical Review B 41 1990 7892 7895
11. J PERDEW, K BURKE, M ERNZERHOF Generalized gradient approximation made simple [J] Physical Review Letter 77 1996 3865 3868
12. HJ MONKHORST, JD PACK Special points for Brillouin-zone integrations [J] Physical Review B 13 1976 5188 5192
13. CB DUKE Atomic and electronic-structure of tetrahedrally coordinated compound semiconductor interfaces [J] Journal of Vacuum Science and Technology 6 1988 1957 1962
14. N KAZUME, Y MASAHITO, H MASAYUKI Energetics of Mg and B adsorption on polar zinc oxide surfaces from first principles [J] Physical Review B 77 2008 35330 35336
15. 2+ species [J] Physics and Chemistry of Minerals 30 2003 69 75
16. VI ANISIMOV, F ARYASETIAWAN, AI LICHTENSTEIN First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+ U method [J] Journal of Physics: Condensed Matter 9 4 1997 767 808
17. NP FINKELSTEIN The activation of sulphide minerals for flotation: A review [J] International Journal of Mineral Processing 52 1997 81 120
18. AR GERSON, AG LANGE, KE PRINCE SMART R S C. The mechanism of copper activation of sphalerite [J] Applied Surface Science 137 1999 207 223
19. AP CHANDRA, AR GERSON A review of the fundamental studies of the copper activation mechanism for selective flotation of the sulfide minerals, sphalerite and pyrite [J] Advances in Colloid and Interface Science 145 2009 97 110