Extended X-ray absorption fine structure (EXAFS) spectroscopy is a premiere method for analysis of the structure and structural transformation of nanoparticles. Extraction of analytical information about the three-dimensional structure and dynamics of metal-metal bonds from EXAFS spectra requires special care due to their markedly non-bulk-like character. In recent decades, significant progress has been made in the first-principles modeling of structure and properties of nanoparticles. In this review, we summarize new approaches for EXAFS data analysis that incorporate particle structure modeling into the process of structural refinement.

中文翻译：

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通过结合X射线吸收精细结构光谱和原子结构模拟来解决金属纳米粒子的结构和动力学。

扩展X射线吸收精细结构（EXAFS）光谱学是用于分析纳米颗粒的结构和结构转变的首要方法。从EXAFS光谱中提取有关金属-金属键的三维结构和动力学的分析信息需要特别注意，因为它们具有明显的非大块状特征。近几十年来，在纳米颗粒的结构和性质的第一原理建模方面已经取得了重大进展。在这篇综述中，我们总结了EXAFS数据分析的新方法，这些方法将粒子结构建模纳入了结构优化过程。