489
Views
41
CrossRef citations to date
0
Altmetric
Original Articles

XPS and ab initio calculation of surface states of sulfide minerals: pyrite, chalcopyrite and molybdenite

, &
Pages 1207-1212 | Received 01 Oct 2006, Accepted 01 Oct 2006, Published online: 04 Mar 2011

References

  • Deer , W.A. , Howie , R.A. and Zussman , J. 1992 . An Introduction to The Rock-Forming Minerals , 2nd ed. , London : Longman .
  • Altermatt , P. , Kiesewetter , T.F. , Ellmer , K. and Tributsch , H. 2002 . Specifying targets of future research in photovoltaic devices containing pyrite (FeS2) by numerical modeling . Solar Energy Mater. Solar Cells , 71 ( 2 ) : 181
  • Nakamura , S. and Yamamoto , A. 2001 . Electrodeposition of pyrite (FeS2) thin films for photovoltaic cells, solar energy materials and solar cells . Solar Energy Mater. Solar Cells , 65 ( 1–4 ) : 79
  • Choi , J.-W. , Kim , J.-K. , Kim , Y.-H. , Kim , J.-U. and Ahn , J.-H. 2005 . Electrochemical properties of primary Li/FeS2 batteries . Mater. Sci. Forum , 486-487 : 658
  • Yang , S.-H. , Osmialowski , S. and Horn , Q.C. 2002 . Nano-FeS2 for commercial Li/FeS2 primary batteries . J. Electrochem. Soc. , 149 ( 11 ) : 1499
  • Lalvani , S.B. and Sharmi , M. 1985 . Pyrite-assisted water electrolysis . Int. J. Hydrogen Energy , 10 ( 7-8 ) : 447
  • Yongfeng , Z. , Hongjie , L. , Haiyong , C. , Ying , Y. and Yajie , Z. 1992 . Simultaneous production of hydrogen and oxidation of pyrite slurries . Int. J. Hydrogen Energy , 17 ( 10 ) : 763
  • Höchst , H. , Bissen , M. , Engelhardt , M.A. and Crossley , D. 1992 . Design study of a high resolution soft X-ray monochromator with a movable variable groove density grating . Nuclear Inst. Meth. Phys. Res. A , 319 : 121
  • Fisher , M.V. , Steinhauser , N. , Eisert , D. , Mason , B. , Middleton , F. and Höchst , H. 1994 . Combining rotation and translation in a variable line space high-resolution soft-X-ray monochromator: Design requirements and performance evaluation of a novel grating mount . Nuclear Inst. Meth. Phys. Res. A , 347 : 264
  • Bissen , M. , Fisher , M. , Rogers , G. , Eisert , D. , Kleman , K. , Nelson , T. , Mason , B. and Middleton , F. 1995 . First results of SRC's new high-energy resolution variable line density grating monochromator beamline: HERMON . Rev. Sci. Inst. , 66 : 2072
  • Segall , M. , Lindan , D.P.L.D. , Probert , M.J. , Pickard , C.J. , Hasnip , P.J. , Clark , S.J. and Payne , M.C. 2002 . First-principles simulation: ideas, illustrations and the CASTEP code . J. Phys.: Cond. Matt. , 14 ( 11 ) : 2717
  • Becke , A.D. 1988 . Density-functional exchange-energy approximation with correct asymptotic behavior . Phys. Rev. A , 38 : 3098
  • Perdew , J.P. , Burke , K. and Ernzerhof , M. 1996 . Generalised gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865
  • Harmer , S.L. , Pratt , A.R. , Nesbitt , H.W. and Fleet , M.E. 2004 . Sulfur species at chalcopyrite (CuFeS2) fracture surfaces . Am. Miner. , 89 : 1026
  • Nesbitt , H.W. , Bancroft , G.M. , Pratt , A.R. and Scaini , M.J. 1998 . Sulfur and iron surface states on fractured pyrite surfaces . Am. Miner. , 83 : 1067 Sulfur and iron surface states on fractured pyrite surfaces. American Mineralogist, 83, 1067
  • von Oertzen , G.U. , Skinner , W.M. and Nesbitt , H.W. 2005 . Ab inito and x-ray photoelectron spectroscopy study of the bulk and surface electronic structure of pyrite (100) with implications for reactivity . Phys. Rev. B , 72 : 235427

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.