论文标题
合金和核心壳纳米颗粒的原子描述
An atomistic description of alloys and core shells nanoparticles
论文作者
论文摘要
使用扩展的离散相互作用模型，我们研究了由银和金制成的合金和核壳纳米颗粒中表面等离子体共振的tuneabilty。我们表明，这些合金和核壳颗粒的表面等离子体共振在很大程度上遵循Vegard的法律，而与纳米颗粒的几何形状无关。我们以大小为极化的演变，并证明了极化性的高度非线性行为与合金和核心壳纳米颗粒的成分和几何形状的比率，但纳米棒合金除外。一项详尽的统计研究表明，表面等离子体共振对原子排列和纳米颗粒中的精确分布只有很小的依赖性，并且随着纳米颗粒的大小，标准偏差迅速降低。详细说明了离散交互模型中合金的随机分布算法的物理推理，并通过统计分析进行了验证。
Using the extended discrete interaction model we investigate the tuneabilty of surface plasmon resonance in alloys and core-shell nanoparticles made from silver and gold. We show that the surface plasmon resonance of these alloys and core-shell particles to a large extent follow Vegard's law irrespective of the geometry of the nanoparticle. We show the evolution of the polarizability with size and demonstrate the highly non-linear behaviour of the polarizability with the ratio of the constituents and geometry in alloys and core-shell nanoparticles, with the exception for nanorod alloys. A thorough statistical investigation reveals that there is only a small dependence of the surface plasmon resonance on atomic arrangement and exact distribution in a nanoparticle and that the standard deviation decrease rapidly with the size of the nanoparticles. The physical reasoning for the random distribution algorithm for alloys in discrete interaction models is explained in details and verified by the statistical analysis.
