Oxygen adsorption on pyrite (100) surface by density functional theory

Journal of Central South University of Technology (English Edition)

Volumn 11, Issue 4, 2004, Pages 385-390

  Sun, Wei ^a   Hu, Yue Hua ^a   Qiu, Guan Zhou ^a   Qin, Wen Qing ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Density functional theory; FeS2(100) surface; Oxygen adsorption; Sulfide flotation; Surface relaxation

Indexed keywords

CRYSTAL STRUCTURE; GAS ADSORPTION; ORE TREATMENT; OXYGEN; SURFACE PROPERTIES;

DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY REDUCTION ACTIVITY; ELECTRON TRANSFER; FERROUS DISULFIDE; OXYGEN ADSORPTION; SULFIDE FLOTATION; SURFACE RELAXATION;

PYRITES;

EID: 14744303259     PISSN: 10059784     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11771-004-0080-8     Document Type: Article

References (30)

1. Raichur A M, Wang X H, Parekh B K. Quantifying pyrite surface oxidation kinetics by contact angle measurements [J]. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2000, 167(3): 245-251.
2. Baltrus J P, Diehl J R. Surface spectroscopic studies of factors influencing xanthate adsorption on coal pyrite surfaces [J]. Fuel and Energy Abstracts, 1997, 38(4): 212.
3. 2 at high redox potential [J]. Hydrometallurgy, 2001, 62(1): 57-66.
4. Laajalehto K, Leppinen J, Kartio I, et al. XPS and FTIR study of the influence of electrode potential on activation of pyrite by copper or lead [J]. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 1999, 154(1-2): 193-199.
5. 2) by numerical modeling [J]. Solar Energy Materials and Solar Cells, 2002, 71(2): 181-195.
6. 2) thin films for photovoltaic cells [J]. Solar Energy Materials and Solar Cells, 2001, 65(1-4): 79-85.
7. Boon M, Heijnen J J. Chemical oxidation kinetics of pyrite in bioleaching processes [J]. Hydrometallurgy, 1998, 48(1): 27-41.
8. TAO D P. The incipient oxidation of pyrite [J]. Fuel and Energy Abstracts, 1995, 36(4): 302.
9. 2) in aqueous electrolytes [J]. Journal of Electroanalytical Chemistry, 1999, 471(2): 116-125.
10. Nagy A J, Mestl G. The role of subsurface oxygen in the silver-catalyzed, oxidative coupling of methane [J]. Journal of Catalysis, 1999, 188(1): 58-68.
11. SONG Chun-shan. Fuel processing for low-temperature and high-temperature fuel cells: challenges, and opportunities for sustainable development in the 21st century [J]. Catalysis Today, 2002, 77(1-2): 17-49.
12. Pattabi M, Castellanos R H, Castillo R, et al. Electrochemical characterization of tungsten carbonyl compound for oxygen reduction reaction [J]. International Journal of Hydrogen Energy, 2001, 26(2): 171-174.
13. King F, Quinn M J, Litke C D. Oxygen reduction on copper in neutral NaCl solution [J]. Journal of Electroanalytical Chemistry, 1995, 385(1): 45-55.
14. Ahlberg E, Broo A E. Oxygen reduction at sulphide minerals. 1. A rotating ring disc electrode (RRDE) study at galena and pyrite [J]. International Journal of Mineral Processing, 1996, 46(1-2): 73-89.
15. Ahlberg E, Broo A E. Oxygen reduction at sulphide minerals. 2. A rotating ring disc electrode (RRDE) study at galena and pyrite in the presence of xanthate [J]. International Journal of Mineral Processing, 1996, 47(1-2): 33-47.
16. Ahlberg E, Broo A E. Oxygen reduction at sulphide minerals. 3. The effect of surface pre-treatment on the oxygen reduction at pyrite [J]. International Journal of Mineral Processing, 1996, 47(1-2): 49-60.
17. Fierro R E C, Tryk D. Perovskite-type oxides: oxygen electrocatalysis and bulk structure [J]. Journal of Power Sources, 1988, 22(3-4): 387-98.
18. Gupta S, Tryk D, Bae I, et al. Heat-treated polyacrylonitrile-based catalysts for oxygen electroreduction [J]. Journal of Appl Electrochem, 1989, 19(1): 19-27.
19. 7-d as a cathode material in a high temperature solid-oxide fuel cell [J]. Journal of Solid State Electrochemistry, 1998, 2(5): 291-298.
20. 2 (100) and (110) surfaces [J]. Surface Science, 2002, 513(3): 511-524.
21. 2 (111) and (210) surfaces [J]. Surface Science, 2002, 520(1-2): 111-119.
22. Opahle I, Koepernik K, Eschrig H. Full potential band structure calculation of iron pyrite [J]. Computational Materials Science, 2000, 17(2-4): 206-210.
23. Edelbro R, Sandstrom A, Paul J. Full potential calculations on the electron band structures of sphalerite [J]. Pyrite and Chalcopyrite Applied Surface Science, 2003, 206(1-4): 300-313.
24. 2 [J]. Phys Rev, 2002, 65(1): 54.
25. Lavinsky R. General pyrite information [EB/OL]. http://webmineral.com/data/Pyrite.shtml.
26. Segall M D, Lindan P L D, Probert M J, et al. First-principles simulation: ideas illustrations and the CASTEP code [J]. Phys Cond Matt, 2002, 14(2): 2717-2743.
27. Nesbitt H W, Bancroft G M, Scaini M J, et al. Sulfur and iron surface states on fractured pyrite surfaces [J]. American Mineralogist, 1998, 83: 1067-1076.
28. ZHANG D H. Adsorption and photodesorption of oxygen on the surface and crystallite interfaces of sputtered ZnO films [J]. Materials Chemistry and Physics, 1996, 45(3): 248-252.
29. Bechtold E, Schennach R. Adsorption of oxygen on chlorine-modified Pt(100) surfaces [J]. Surface Science, 1996, 369(1-3): 277-288.
30. Sasaki T, Goto Y. Oxygen adsorption states on Mo(112) surface studied by Hreels [J]. Surface Science, 2002, 502-503: 136-143.