TY - JOUR
T1 - Atomic-scale structure in α-FeOOH particles estimated from the anomalous X-ray scattering data with reverse Monte Carlo simulation
AU - Waseda, Yoshio
AU - Suzuki, Shigeru
AU - Saito, Masatoshi
N1 - Funding Information:
This work was supported by the Grant-in-Aid for Scientific Research Fund from the Japan Society for Promotion of Science (No. 15656152). A part of this work was also supported by a research promotion grant of The Iron and Steel Institute of Japan.
PY - 2005/9/29
Y1 - 2005/9/29
N2 - 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.
AB - 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.
KW - Anomalous X-ray scattering
KW - Corrosion product
KW - Ferric oxyhydroxide
KW - Goethite
KW - Reverse Monte Carlo simulation
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U2 - 10.1016/j.jallcom.2004.12.055
DO - 10.1016/j.jallcom.2004.12.055
M3 - Conference article
AN - SCOPUS:24744462463
SN - 0925-8388
VL - 401
SP - 24
EP - 28
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
IS - 1-2
ER -