在圆柱体、球体和螺旋上的粒子

J. Autschbach
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引用次数: 0

摘要

前面章节中盒子里的粒子是一个有用的模型,可以用来处理线性分子线、矩形表面和长方体纳米粒子中的电子运动。在本章中,建立了球形和圆柱形纳米粒子以及螺旋纳米线的类似模型。讨论了这些模型在文献中的应用。例如,圆柱模型中的粒子已被用于处理银纳米棒的吸收光谱。球形模型中的粒子可以用来解释具有一定“神奇”Na原子数的钠纳米团簇的出现。该模型还解释了钾在高压下的行为,这种元素开始表现得像过渡金属。螺旋上的粒子已被用来合理化螺旋共轭分子的旋光性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Particle in a Cylinder, in a Sphere, and on a Helix
The particle in a box from an earlier chapter is useful as a model to treat the electron motion in linear molecular ‘wires’, rectangular surfaces, and cuboid nano-particles. In this chapter, similar models are developed for spherical and cylindrical nano-particles, and helical nano-wires. Applications of these models that have been reported in the literature are discussed. For example, the particle in a cylinder model has been applied to treat the absorption spectra of silver nano-rods. The particle in a sphere model can be used tom rationalize the occurrence of sodium nano-clusters with certain ‘magic’ numbers of Na atoms. The model also explains the behaviour of potassium under high pressure, where the element starts to behave like a transition metal. The particle on a helix has been used to rationalize the optical activity of helical pi-conjugated molecules.
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