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Local structures around the substituted elements in mixed layered oxides

机译:混合层状氧化物中取代元素周围的局部结构

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摘要

The chemical substitution of a transition metal (M) is an effective method to improve the functionality of a material, such as its electrochemical, magnetic, and dielectric properties. The substitution, however, causes local lattice distortion because the difference in the ionic radius (r) modifies the local interatomic distances. Here, we systematically investigated the local structures in the pure (x = 0.0) and mixed (x = 0.05 or 0.1) layered oxides, Na(M1−xM′x)O2 (M and M′ are the majority and minority transition metals, respectively), by means of extended X-ray absorption fine structure (EXAFS) analysis. We found that the local interatomic distance (dM-O) around the minority element approaches that around the majority element to reduces the local lattice distortion. We further found that the valence of the minority Mn changes so that its ionic radius approaches that of the majority M.
机译:过渡金属(M)的化学取代是提高材料功能性(例如其电化学,磁性和介电性能)的有效方法。但是,这种替代会引起局部晶格畸变,因为离子半径(r)的差异会改变局部原子间的距离。在这里,我们系统地研究了纯(x = 0.0)和混合(x = 0.05或0.1)层状氧化物Na(M1-xM'x)O2(M和M'是主要和少数过渡金属,分别通过扩展X射线吸收精细结构(EXAFS)分析。我们发现少数元素周围的局部原子间距离(dM-O)接近多数元素周围的原子间距离,以减少局部晶格畸变。我们进一步发现少数Mn的化合价发生变化,因此其离子半径接近多数M的离子半径。

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