Department of Materials Science and Engineering, University of Pennsylvania , Philadelphia, Pennsylvania 19104, United States.
ACS Nano. 2014 Jun 24;8(6):6163-70. doi: 10.1021/nn501591g. Epub 2014 Jun 9.
The atomic structure of Ni-Pd nanoparticles has been studied using atomic pair distribution function (PDF) analysis of X-ray total scattering data and with transmission electron microscopy (TEM). Larger nanoparticles have PDFs corresponding to the bulk face-centered cubic packing. However, the smallest nanoparticles have PDFs that strongly resemble those obtained from bulk metallic glasses (BMGs). In fact, by simply scaling the distance axis by the mean metallic radius, the curves may be collapsed onto each other and onto the PDF from a metallic glass sample. In common with a wide range of BMG materials, the intermediate range order may be fit with a damped single-frequency sine wave. When viewed in high-resolution TEM, these nanoparticles exhibit atomic fringes typical of those seen in small metallic clusters with icosahedral or decahedral order. These two seemingly contradictory results are reconciled by calculating the PDFs of models of icosahedra that would be consistent with the fringes seen in TEM. These model PDFs resemble the measured ones when significant atom-position disorder is introduced, drawing together the two diverse fields of metallic nanoparticles and BMGs and supporting the view that BMGs may contain significant icosahedral or decahedral order.
使用 X 射线总散射数据的原子对分布函数(PDF)分析和透射电子显微镜(TEM)研究了 Ni-Pd 纳米粒子的原子结构。较大的纳米粒子的 PDF 对应于体心立方堆积。然而,最小的纳米粒子的 PDF 与从大块金属玻璃(BMG)获得的 PDF 非常相似。实际上,只需将距离轴按平均金属半径缩放,就可以将曲线彼此以及与金属玻璃样品的 PDF 叠加。与广泛的 BMG 材料一样,中间范围顺序可以用阻尼单频正弦波拟合。在高分辨率 TEM 中观察时,这些纳米粒子表现出典型的具有二十面体或十面体有序的小金属簇的原子条纹。这两个看似矛盾的结果可以通过计算与 TEM 中观察到的条纹一致的二十面体模型的 PDF 来调和。当引入显著的原子位置无序时,这些模型 PDF 类似于测量的 PDF,将金属纳米粒子和 BMG 这两个不同领域结合在一起,并支持 BMG 可能包含大量二十面体或十面体有序的观点。