AVS 51st International Symposium
    Surface Science Friday Sessions
       Session SS2-FrM

Paper SS2-FrM10
Experimental and Theoretical Characterization of the Structure of Defects at the Pyrite FeS2 (100) Surface

Friday, November 19, 2004, 11:20 am, Room 210C

Session: Bimetallic Surface Chemistry and Structure
Presenter: K. Andersson, Stockholm University, Sweden
Authors: K. Andersson, Stockholm University, Sweden
M. Nyberg, Stockholm University, Sweden
O. Ogasawara, Stanford Synchrotron Radiation Laboratory
D. Nordlund, Stockholm University, Sweden
T. Kendelewicz, Stanford University
C.S. Doyle, Stanford University
G.E. Brown, Jr, Stanford University
L.G.M. Pettersson, Stockholm University, Sweden
A. Nilsson, Stanford University
Correspondent: Click to Email
Defect-free pyrite FeS2 (100) surfaces were generated and a controlled manipulation of sulfur defect density at these surfaces was performed. Sulfur species of different coordination and environments at the surface were probed by S 2p photoemission in combination with theoretical modeling of S 2p core-level shifts. A strict structural assignment of S 2p peaks at the FeS2 (100) surface in the low defect density regime was achieved. Based on our results, a defect that is related to a surface sulfur vacancy is confirmed to provide the active site for the rapid initial oxidation stage at the pyrite surface.