Rocha Brunno C, Paul Sanjib, Vashisth Harish
Department of Chemical Engineering, University of New Hampshire, Durham, New Hampshire 03824, United States.
Department of Chemistry, New York University, New York City, New York 10003, United States.
J Phys Chem B. 2021 Apr 1;125(12):3208-3215. doi: 10.1021/acs.jpcb.0c11096. Epub 2021 Mar 18.
Colloidal patchy particles are particles with anisotropic "patches" decorating their surfaces. Several properties of these patches including their size, number, location, and interactions provide control over self-assembly of patchy particles into structures with desired properties. We report on simulation studies of particles where patches take the form of lobes. Based on the number and locations of lobes, these particles have different shapes (trigonal planar, square planar, tetrahedral, trigonal bipyramidal, and octahedral). We investigated the effect of incorporating charges on the lobes in achieving porous self-assembled morphologies across a range of temperatures. We observed that an increase in the charge on the lobe resulted in lobed particles assembling over a wider range of temperatures. We also observed that the lobed particles with charges self-assembled into structures with enhanced porosity in comparison to lobed particles without charges.
胶体斑状粒子是表面带有各向异性“斑块”的粒子。这些斑块的几个特性，包括其大小、数量、位置和相互作用，可控制斑状粒子自组装成具有所需特性的结构。我们报告了对斑块呈叶状的粒子的模拟研究。根据叶的数量和位置，这些粒子具有不同的形状（三角平面、正方形平面、四面体、三角双锥体和八面体）。我们研究了在一系列温度下，在叶上引入电荷对实现多孔自组装形态的影响。我们观察到，叶上电荷的增加导致叶状粒子在更宽的温度范围内组装。我们还观察到，与不带电荷的叶状粒子相比，带电荷的叶状粒子自组装成孔隙率更高的结构。
