Max Planck Institute for Polymer Research, Mainz D-55128, Germany.
Department of Chemistry, University of North Texas, Denton, Texas 76201, United States.
Nano Lett. 2022 Dec 28;22(24):9847-9853. doi: 10.1021/acs.nanolett.2c02848. Epub 2022 Dec 9.
The steric stability of inorganic colloidal particles in an apolar solvent is usually described in terms of the balance between three contributions: the van der Waals attraction, the free energy of mixing, and the ligand compression. However, in the case of nanoparticles, the discrete nature of the ligand shell and the solvent has to be taken into account. Cadmium selenide nanoplatelets are a special case. They combine a weak van der Waals attraction and a large facet to particle size ratio. We use coarse grained molecular dynamics simulations of nanoplatelets in octane to demonstrate that solvation forces are strong enough to induce the formation of nanoplatelet stacks and by that have a crucial impact on the steric stability. In particular, we demonstrate that for sufficiently large nanoplatelets, solvation forces are proportional to the interacting facet area, and their strength is intrinsically tied to the softness of the ligand shell.
在非极性溶剂中,无机胶体颗粒的空间稳定性通常可以用三种贡献之间的平衡来描述:范德华吸引力、混合自由能和配体压缩。然而,在纳米颗粒的情况下,必须考虑配体壳和溶剂的离散性质。硒化镉纳米板是一个特殊的例子。它们结合了较弱的范德华吸引力和较大的面到颗粒尺寸比。我们使用辛烷中纳米板的粗粒分子动力学模拟来证明溶剂化力足够强,足以诱导纳米板堆叠的形成,从而对空间稳定性产生关键影响。特别是,我们证明对于足够大的纳米板,溶剂化力与相互作用的面面积成正比,其强度与配体壳的柔软性内在相关。