Total X-ray scattering and atomic pair distribution analysis (PDF) were used to study structure of anisotropic two-dimensional (2D) MoS₂ nanoparticles in MoS₂/Al₂O₃ catalysts. We demonstrated that PDF analysis can be used not only to determine the atomic ordering but also to assess the geometry and size of 2D MoS₂ nanoparticles in the catalysts. In refinement of PDFs, discrete atomistic modeling was used to account for finite size and shape effects. The values of MoS₂ slab length elucidated from the PDF data were smaller than values obtained from high-resolution transmission electron microscopy (HRTEM) data due to defectiveness and multi-domain structure of the MoS₂ nanoparticles. It was suggested that increase in the temperature of heat treatment of oxide precursors leads to decrease in deformation of the MoS₂ nanoparticles in sulfided catalysts.

使用全 X 射线散射和原子对分布分析 (PDF) 来研究各向异性二维 (2D) MoS ₂纳米粒子在 MoS ₂ /Al ₂ O ₃催化剂中的结构。我们证明 PDF 分析不仅可用于确定原子排序，还可用于评估催化剂中 2D MoS ₂纳米颗粒的几何形状和尺寸。在 PDF 的细化过程中，离散原子模型被用来解释有限的尺寸和形状效应。硫化钼的值₂从PDF数据阐明板坯长度比由于所述MOS的缺陷和多畴结构从高分辨率透射电子显微镜（HRTEM）得到的数据值小₂纳米粒子。这表明氧化物前体热处理温度的增加导致硫化催化剂中MoS ₂纳米颗粒的变形减少。