InSitu Studies of the Formation of Tungsten and Niobium Oxide Nanoparticles: Towards Automated Analysis of Reaction Pathways from PDF Analysis using the Pearson Correlation Coefficient

被引：0

作者：

Kjaer, Emil T. S. ^{[1
,2
,3
]}

Aalling-Frederiksen, Olivia ^{[1
,2
]}

Yang, Long ^{[3
]}

Thomas, Nancy K. ^{[3
]}

Juelsholt, Mikkel ^{[1
,2
]}

Billinge, Simon J. L. ^{[3
,4
]}

Jensen, Kirsten M. . ^{[1
,2
]}

机构：

[1] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark

[2] Univ Copenhagen, Nano Sci Ctr, DK-2100 Copenhagen, Denmark

[3] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA

[4] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA

来源：

CHEMISTRYMETHODS | 2022年 / 2卷 / 09期

基金：

欧洲研究理事会; 美国国家科学基金会;

关键词：

automated data analysis; in situ; nanoparticles; Pearson correlation; total scattering pair distribution function analysis;

D O I：

10.1002/cmtd.202200052

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Invited for this month's cover are the groups of Kirsten M. O. Jensen at the University of Copenhagen (Denmark) and Simon J. L. Billinge at Columbia University (US). The cover picture shows a sketch of the formation process of metal oxide nanoparticles, where nanocrystalline oxides form from fragments of e.g., 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, it is show how the analysis of such data can be automated using structure mining and simple computational tools. Read the full text of their Research Article at 10.1002/cmtd.202200034.

引用

页数：2