Mathews K Remya Ann, Mani Ethayaraja
Polymer Engineering and Colloid Science Lab, Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai-600036, India.
J Phys Condens Matter. 2021 Apr 26;33(19). doi: 10.1088/1361-648X/abf0c0.
Oppositely charged bipolar colloids or colloids decorated with complementary deoxyribonucleic acid (DNA) on their surfaces are special kinds of patchy particles where only patch and non-patch parts are attractive. These are classified as inverse patchy colloids (IPCs). In this work, equilibrium self-assembly of IPC in two-dimensions is reported using Monte Carlo simulations. Square (SCs) and triangular crystals (TCs) are found to be stable at 0.5 patch coverage. Upon decreasing the patch coverage to 0.33, the regular SC is destabilized; instead rhombic and TCs are found to be stable. At low patch coverages such as 0.22 and 0.12, only TC is stabilized at high density. Particles of all the patch coverages show kinetically stable cluster phases of different shapes and sizes at low densities, and the average cluster size depends on the patch coverage and particle density. State-diagrams showing all the stable phases for each patch coverage are presented. Ordered phases are characterized by bond order parameters,and radial distribution function. The effect of polydispersity in patch coverage on the polarization of the stable structures are also studied. The study demonstrates that IPCs can stabilize various ordered two-dimensional structures by tuning the size of the patch, density and interaction strengths.
带相反电荷的双极胶体或表面装饰有互补脱氧核糖核酸(DNA)的胶体是一类特殊的补丁粒子,其中只有补丁部分和非补丁部分相互吸引。这些被归类为反补丁胶体(IPC)。在这项工作中,我们使用蒙特卡罗模拟报告了IPC在二维中的平衡自组装。发现正方形晶体(SCs)和三角形晶体(TCs)在补丁覆盖率为0.5时是稳定的。当补丁覆盖率降低到0.33时,规则的SCs变得不稳定;相反,发现菱形和TCs是稳定的。在低补丁覆盖率(如0.22和0.12)下,只有TCs在高密度时是稳定的。所有补丁覆盖率的粒子在低密度时都表现出不同形状和大小的动力学稳定簇相,平均簇大小取决于补丁覆盖率和粒子密度。给出了显示每个补丁覆盖率所有稳定相的状态图。有序相通过键序参数和径向分布函数来表征。还研究了补丁覆盖率的多分散性对稳定结构极化的影响。该研究表明,IPC可以通过调整补丁大小、密度和相互作用强度来稳定各种有序的二维结构。