Kovyakh Anton, Banerjee Soham, Liu Chia-Hao, Wright Christopher J, Li Yuguang C, Mallouk Thomas E, Feidenhans'l Robert, Billinge Simon J L
Niels Bohr Institute, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.
J Appl Crystallogr. 2023 Jul 28;56(Pt 4):1221-1228. doi: 10.1107/S1600576723005927. eCollection 2023 Aug 1.
This article demonstrates spatial mapping of the local and nanoscale structure of thin film objects using spatially resolved pair distribution function (PDF) analysis of synchrotron X-ray diffraction data. This is exemplified in a lab-on-chip combinatorial array of sample spots containing catalytically interesting nanoparticles deposited from liquid precursors using an ink-jet liquid-handling system. A software implementation is presented of the whole protocol, including an approach for automated data acquisition and analysis using the atomic PDF method. The protocol software can handle semi-automated data reduction, normalization and modeling, with user-defined recipes generating a comprehensive collection of metadata and analysis results. By slicing the collection using included functions, it is possible to build images of different contrast features chosen by the user, giving insights into different aspects of the local structure.
本文展示了利用同步加速器X射线衍射数据的空间分辨对分布函数(PDF)分析对薄膜物体的局部和纳米尺度结构进行空间映射。这在一个芯片实验室组合阵列中得到了例证,该阵列包含使用喷墨液体处理系统从液体前驱体沉积的具有催化意义的纳米颗粒的样品点。本文介绍了整个协议的软件实现,包括使用原子PDF方法进行自动数据采集和分析的方法。该协议软件可以处理半自动的数据缩减、归一化和建模,用户定义的配方可以生成全面的元数据和分析结果集合。通过使用包含的功能对数据集进行切片,可以构建用户选择的不同对比度特征的图像,从而深入了解局部结构的不同方面。