生长在二氧化硅表面的银和铂纳米粒子的平衡结构和形状:从实验研究到金属-二氧化硅电位的确定

F. Ait Hellal, C. Andreazza-Vignolle, P. Andreazza, J. Puibasset
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引用次数: 0

摘要

本文结合实验和数值研究,介绍了沉积在二氧化硅基底上的金属银和铂纳米粒子,重点是金属与基底的相互作用。在实验方面,采用掠入射小角 X 射线散射和高分辨率透射电子显微镜对通过超高真空原子沉积获得的纳米粒子进行了表征,以确定它们的结构和形态,特别是它们的长宽比(高度/直径),这可以量化从生长状态到平衡状态的金属-基底相互作用。在数值上,金属和二氧化硅物种之间的相互作用是用 Lennard-Jones (12, 6) 电位建模的,每种金属和二氧化硅物种有两个参数。几何参数是在文献中找到的,而能量参数是根据我们对长宽比的实验测量确定的。参数如下:对于银二氧化硅,σAg-O = 0.278 nm,σAg-Si = 0.329 nm,ɛAg-O = 75 meV,ɛAg-Si = 13 meV;对于铂二氧化硅,σPt-O = 0.273 nm,σPt-Si = 0.324 nm,ɛPt-O = 110 meV,ɛPt-Si = 18 meV。提出的银二氧化硅电势定量再现了出乎意料的实验观察结果,即大于 5 nm 的银纳米粒子的长宽比变化,这被解释为二氧化硅粗糙度的结果。此外,还考虑了纳米粒子的取向、结构和无序性。这种银和铂的金属-二氧化硅潜力应有助于对纯金属及其合金的进一步研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Equilibrium structure and shape of Ag and Pt nanoparticles grown on silica surfaces: From experimental investigations to the determination of a metal–silica potential
A combination of experimental and numerical investigations on metallic silver and platinum nanoparticles deposited on silica substrates is presented, with a focus on metal–substrate interactions. Experimentally, the nanoparticles, obtained by ultra-high vacuum atom deposition, are characterized by grazing-incidence small-angle x-ray scattering and high resolution transmission electronic microscopy to determine their structure and morphology and, in particular, their aspect ratio (height/diameter), which quantifies the metal–substrate interaction, from the as-grown to equilibrium state. Numerically, the interactions between the metal and the silica species are modeled with the Lennard-Jones (12, 6) potential, with two parameters for each metal and silica species. The geometric parameters were found in the literature, while the energetic parameters were determined from our experimental measurements of the aspect ratio. The parameters are as follows: σAg–O = 0.278 nm, σAg–Si = 0.329 nm, ɛAg–O = 75 meV, and ɛAg–Si = 13 meV for Ag–silica and σPt–O = 0.273 nm, σPt–Si = 0.324 nm, ɛPt–O = 110 meV, and ɛPt–Si = 18 meV for Pt–silica. The proposed Ag–silica potential reproduces quantitatively the unexpected experimental observation of the variation of the aspect ratio for Ag nanoparticles larger than 5 nm, which has been interpreted as a consequence of the silica roughness. The nanoparticle orientation, structure, and disorder are also considered. This metal–silica potential for Ag and Pt should be helpful for further studies on pure metals as well as their alloys.
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