Analytical and Bioanalytical Chemistry

, Volume 373, Issue 7, pp 601–608

Analytical utility of valence band X-ray photoelectron spectroscopy of iron and its oxides, with spectral interpretation by cluster and band structure calculations

  • W. Temesghen
  • P. Sherwood
Special Issue Paper

DOI: 10.1007/s00216-002-1362-3

Cite this article as:
Temesghen, W. & Sherwood, P. Anal Bioanal Chem (2002) 373: 601. doi:10.1007/s00216-002-1362-3


The valence band and core-level X-ray photoelectron spectroscopy (XPS) of iron and its oxides are reported, and the valence band spectra interpreted by various calculation models. The paper focuses upon the valence band region, which shows significant differences between the metal and the following oxidized iron species: FeO, Fe3O4, α-Fe2O3, γ-Fe2O3, α-FeOOH and γ-FeOOH. The core region is of little analytical value as a means of distinguishing between these species, but the valence band region shows significant differences. These differences are consistent with spectra predicted by cluster and band structure calculations. Cluster calculations are valuable as a means for interpreting the spectra of iron oxides with multiple iron sites and defect characteristics.

X-ray photoelectron spectroscopy Valence band Iron oxides Cluster calculations Band structure calculations

Copyright information

© Springer-Verlag 2002

Authors and Affiliations

  • W. Temesghen
    • 1
  • P. Sherwood
    • 1
  1. 1.Department of Chemistry, Willard Hall, Kansas State University, Manhattan, Kansas 66506–3701USA