Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays
Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays
复制标题
从单次衍射 X 射线的角度相关性表征单个纳米颗粒的晶体缺陷
DOI：
10.1107/s205225252000144x
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发表时间：
2020
期刊：
影响因子：
3.9
通讯作者：
et al.
中科院分区：
文献类型：
--
作者：
Niozu Akinobu;et al.
表征和控制纳米颗粒的均匀性对于其在科学技术中的应用至关重要，因为纳米颗粒中的晶体缺陷会强烈影响其独特的性能。最近，X射线自由电子激光器（XFEL）提供的超短、超亮X射线脉冲开启了以Å空间分辨率确定纳米级物质结构的可能性。然而，由于颗粒的随机方向，从单次 X 射线衍射图重建 3D 结构信息通常很困难。本报告提出了一种利用自由飞行的单个纳米颗粒的广角 X 射线散射 (WAXS) 数据来表征纳米颗粒缺陷的分析方法。该分析方法基于相关X射线散射的概念，其中利用散射X射线的相关性来恢复详细的结构信息。氙纳米颗粒或簇的 WAXS 实验是在日本的 XFEL 设施中使用 SPring-8 Ångstrom 紧凑型自由电子激光器 (SACLA) 进行的。记录的单次 X 射线衍射图中的布拉格斑点显示出清晰的角度相关性，这提供了纳米颗粒的重要结构信息。通过数值模拟再现了实验角度相关性，其中衍射运动学理论与几何计算相结合。我们还解释了漫散射强度是由于氙簇中的堆垛层错造成的。
Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray pulses provided by X-ray free-electron lasers (XFELs) opened up the possibility of structure determination of nanometre-scale matter with Å spatial resolution. However, it is often difficult to reconstruct the 3D structural information from single-shot X-ray diffraction patterns owing to the random orientation of the particles. This report proposes an analysis approach for characterizing defects in nanoparticles using wide-angle X-ray scattering (WAXS) data from free-flying single nanoparticles. The analysis method is based on the concept of correlated X-ray scattering, in which correlations of scattered X-ray are used to recover detailed structural information. WAXS experiments of xenon nanoparticles, or clusters, were conducted at an XFEL facility in Japan by using the SPring-8 Ångstrom compact free-electron laser (SACLA). Bragg spots in the recorded single-shot X-ray diffraction patterns showed clear angular correlations, which offered significant structural information on the nanoparticles. The experimental angular correlations were reproduced by numerical simulation in which kinematical theory of diffraction was combined with geometric calculations. We also explain the diffuse scattering intensity as being due to the stacking faults in the xenon clusters.