Cover Picture: In Situ Studies of the Formation of Tungsten and Niobium Oxide Nanoparticles: Towards Automated Analysis of Reaction Pathways from PDF Analysis using the Pearson Correlation Coefficient (Chem. Methods 9/2022)

IF 6.1 Q1 CHEMISTRY, MULTIDISCIPLINARY
Emil T. S. Kjær, Olivia Aalling-Frederiksen, Dr. Long Yang, Nancy K. Thomas, Dr. Mikkel Juelsholt, Prof. Simon J. L. Billinge, Dr. Kirsten M. Ø. Jensen
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引用次数: 1

Abstract

The Front Cover shows a sketch of the formation process of metal oxide nanoparticles, where nanocrystalline oxides form from fragments of polyoxometalates. In situ X-ray total scattering studies with Pair Distribution Function analysis can give new insights into the formation process, as it provides structural information on all stages of the reaction – from precursor ions in solution, over amorphous or nanostructured intermediates to the final crystalline material. Here, we show how the analysis of such data can be automated using structure mining and simple computational tools. More information can be found in the Research Article by EmilT. S. Kjær0000et al..

Abstract Image

封面图片:钨和氧化铌纳米颗粒形成的原位研究:使用Pearson相关系数对PDF分析的反应途径进行自动分析。方法9/2022)
封面展示了金属氧化物纳米颗粒形成过程的草图,其中纳米晶体氧化物由多金属氧酸盐碎片形成。使用对分布函数分析的原位x射线全散射研究可以为形成过程提供新的见解,因为它提供了反应所有阶段的结构信息-从溶液中的前体离子,非晶或纳米结构的中间体到最终的晶体材料。在这里,我们展示了如何使用结构挖掘和简单的计算工具自动分析这些数据。更多信息可以在EmilT的研究文章中找到。j . j . ær0000等。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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CiteScore
7.30
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