Computing Shapes of Nanocrystals from X-ray Diffraction Data
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- 作者：Daniel Sherwood and Bosco Emmanuel
- 刊名：Crystal Growth & Design
- 出版年：2006
- 出版时间：June 2006
- 年：2006
- 卷：6
- 期：6
- 页码：1415 - 1419
- 全文大小：283K
- 年卷期：v.6,no.6(June 2006)
- ISSN：1528-7505
文摘
An elegant mathematical technique has been developed and tested for computing the shapes of nanocrystals fromX-ray diffraction (XRD) data. The method is specially suited to the shape analysis of crystallites in nanopowder specimens. Unlikevisualization techniques such as transmission electron microscopy (TEM), it can find the full 3-D crystallite shape even in thepresence of agglomeration. The technique has been validated using XRD and TEM data on the systems CeO2, Ge, ZnO, Zr56C44,In2O3, MnFe2O4, and iron(II-III) hydroxysulfate. This will aid in the shape-selective synthesis and design of materials. Other meritsof the method and some extensions are also discussed.