Atomic-scale structure of α-FeOOH containing chromium by anomalous X-ray scattering coupled with reverse Monte Carlo simulation

被引：19
|
作者：
Suzuki, S
Takahashi, Y
Saito, M
Kusakabe, M
Kamimura, T
Miyuki, H
Waseda, Y
机构：
[1] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Aoba Ku, Sendai, Miyagi 9808577, Japan
[2] Niigata Univ, Fac Med, Sch Hlth Sci, Niigata 9518518, Japan
[3] Niigata Inst Technol, Niigata 9451195, Japan
[4] Sumitomo Met Ind Ltd, Corp Res & Dev Labs, Amagasaki, Hyogo 6600891, Japan
来源：
CORROSION SCIENCE | 2005年 / 47卷 / 05期
基金：
日本学术振兴会;
关键词：
ferric oxyhydroxide; goethite; corrosion product; X-ray diffraction; anomalous X-ray scattering; reverse Monte Carlo simulation;
D O I：
10.1016/j.corsci.2004.06.024
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Quantitative X-ray structural analysis by applying anomalous X-ray scattering (AXS) has been used for characterizing the effect of chromium on the atomic-scale structure of alpha-FeOOH particles, which is a typical ferric oxyhydroxide in rust formed on the steel surface. The X-ray diffraction profiles showed that the fundamental structure of alpha-FeOOH containing chromium is similar to that of alpha-FeOOH particles without chromium. The realistic atomic-scale structures in alpha-FeOOH with and without chromium were estimated by fitting both the ordinary and environmental interference functions with model calculation using the reverse Monte Carlo (RMC) simulation technique. The results indicated that distortion of the linkage of FeO6 octahedral structural units in alpha-FeOOH is induced by chromium addition, but chromium addition to alpha-FeOOH fundamentally is likely to be substituted for iron in alpha-FeOOH. The atomic-scale arrangements in alpha-FeOOH with and without chromium were visualized using FeO6 octahedral units. These middle range ordering structures were correlated with the microscopic morphological change of particles by chromium addition. (c) 2004 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1271 / 1284
页数：14
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