论文标题
带有立方晶格的多面体金属纳米颗粒：结构特性理论
Polyhedral Metal Nanoparticles with Cubic Lattice: Theory of Structural Properties
论文作者
论文摘要
我们研究了紧凑的金属纳米颗粒（NP）的结构，这些结构是形成面部居中（FCC）的多面体截面和身体中心（BCC）立方晶格，这些晶格由高度致密{100}，{110}和{111}单层单层限制。 NP与理想的立方晶格表现出相同的点对称性，即哦，即，不同类型的通用NPs用于定义一般紧凑的多面体立方NP。它们的结构特性（例如形状，大小和表面面）只能通过三个整数估值的多面体NP参数N，M，K。通过可视化特征示例，讨论了相应的分析细节。尽管不同的立方晶格类型之间的总体NP形状非常相似，但结构细节不同。特别是，相邻的NP方面的单层平面可以在不被理想晶格原子占据的角和边缘连接在一起。根据晶格类型，这会产生微纤维和狭窄的刻面条。讨论说明了定量帐户中看似简单的纳米颗粒的复杂性。模型颗粒的几何关系也可用于对形状进行分类和估计通过实验观察到的真实紧凑型金属纳米颗粒的大小。
We examine the structure of compact metal nanoparticles (NPs) forming polyhedral sections of face centered (fcc) and body centered (bcc) cubic lattices, which are confined by facets characterized by highly dense {100}, {110}, and {111} monolayers. Together with the constraint that the NPs exhibit the same point symmetry as the ideal cubic lattice, i.e. Oh, different types of generic NPs serve for the definition of general compact polyhedral cubic NPs. Their structural properties, such as shape, size, and surface facets, can be described by only three integer valued polyhedral NP parameters N, M, K. Corresponding analytical details are discussed with visualization of characteristic examples. While the overall NP shapes are quite similar between the different cubic lattice types, structural fine details differ. In particular, monolayer planes of adjacent NP facets can join at corners and edges which are not occupied by atoms of the ideal lattice. This gives rise to microfacets and narrow facet strips depending on the lattice type. The discussion illustrates the complexity of seemingly simple nanoparticles in a quantitative account. The geometric relationships of the model particles can also be used to classify shapes and estimate sizes of real compact metal nanoparticles observed by experiment.
