Surface composition and ordering of binary nanoparticle mixtures in spherical confinement,Molecular Systems Design & Engineering

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Surface composition and ordering of binary nanoparticle mixtures in spherical confinement
Molecular Systems Design & Engineering ( IF 3.2 ) Pub Date : 2020-03-10 , DOI: 10.1039/c9me00185a
Thomas E. Gartner _{1,

2,

3,

4} , Christian M. Heil _{1,

2,

3,

4} , Arthi Jayaraman _{1,

2,

3,

4,

5}

Affiliation

We use coarse-grained Langevin dynamics simulations in shrinking spherical confinement to probe the fabrication of spherical “supraballs” via the emulsion assembly of binary nanoparticle mixtures. We examine a binary mixture of silica and synthetic melanin nanoparticles and discuss the structure and composition of the resulting supraballs particularly in the context of optical nanomaterials applications. Our results demonstrate how particle chemistry, particle size, particle mixture composition, assembly timescale, and supraball size cooperate/compete to control the spatial distribution of particles on the surface and within the supraball. We find strong enrichment of melanin particles at the supraball surface, with the degree of enrichment decreasing with increasing melanin/silica size ratio. We observe appreciable crystalline ordering only in systems where the particles are of similar size, and we note that particle size dispersity, finite assembly timescale, and curvature of the supraball surface all serve to suppress particle ordering. We also report routes toward some interesting hierarchical structures such as core–shell supraballs. These findings provide design rules for the development of optical materials for structural color applications, and they also increase our fundamental understanding of nanoparticle organization near curved surfaces and may find relevance for processes such as spray drying and porous materials fabrication.

中文翻译：

球形约束中二元纳米颗粒混合物的表面组成和有序化

我们使用粗粒度的朗之万动力学模拟在萎缩球形禁闭探测的球形“supraballs”制造通过二元纳米颗粒混合物的乳液组装。我们研究了二氧化硅和合成黑色素纳米颗粒的二元混合物，并讨论了所得超球的结构和组成，尤其是在光学纳米材料应用的背景下。我们的结果证明了粒子化学，粒子大小，粒子混合物组成，组装时间尺度和超球尺寸如何协同/竞争来控制粒子在超球表面和内部的空间分布。我们发现在球上方表面黑色素颗粒的富集，随着黑色素/二氧化硅尺寸比的增加，富集程度降低。我们仅在粒径相似的系统中观察到明显的晶体有序性，并且我们注意到粒径的分散性，有限的组装时标，超球表面的曲率和曲率都可用来抑制粒子有序化。我们还报告了指向一些有趣的层次结构（如核-壳超球）的路线。这些发现为开发用于结构色彩应用的光学材料提供了设计规则，并且还增加了我们对曲面附近的纳米颗粒组织的基本了解，并可能发现了与喷雾干燥和多孔材料制造等工艺的相关性。

更新日期：2020-03-10

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