Atomic-scale structure in α-FeOOH particles estimated from the anomalous X-ray scattering data with reverse Monte Carlo simulation

Yoshio Waseda, Shigeru Suzuki, Masatoshi Saito

Research output: Contribution to journalConference articlepeer-review

Abstract

The realistic atomic-scale structure of synthesized α-FeOOH (goethite) particles, which is a typical ferric oxyhydroxide of corrosion product formed on the steel surface, has been estimated by fitting both the ordinary interference function and the environmental interference function obtained from the anomalous X-ray scattering (AXS) with model calculation using the reverse Monte Carlo (RMC) simulation technique. The results indicated that the FeO6 octahedral unit structure is unchanged in α-FeOOH particles with and without chromium, but distortion of the linkage of FeO 6 octahedral unit structure is quite likely induced by chromium addition, where chromium is found to substitute for iron site in α-FeOOH particles. The middle-range ordering (≈nm scale) characterized by the FeO6 octahedral unit structure in α-FeOOH particles was also visualized.

Original languageEnglish
Pages (from-to)24-28
Number of pages5
JournalJournal of Alloys and Compounds
Volume401
Issue number1-2
DOIs
Publication statusPublished - 2005 Sep 29

Keywords

  • Anomalous X-ray scattering
  • Corrosion product
  • Ferric oxyhydroxide
  • Goethite
  • Reverse Monte Carlo simulation

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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