Experiments and Simulations Probing Local Domain Bulge and String Assembly of Aligned Nanoplates in a Lamellar Diblock Copolymer
Experiments and Simulations Probing Local Domain Bulge and String Assembly of Aligned Nanoplates in a Lamellar Diblock Copolymer
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DOI：
10.1021/acs.macromol.9b01324
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发表时间：
2019-11
期刊：
影响因子：
5.5
通讯作者：
Nadia M. Krook;Christian Tabedzki;Katherine C. Elbert;K. Yager;C. Murray;Robert A. Riggleman;R. Composto
中科院分区：
文献类型：
--
作者：
Nadia M. Krook;Christian Tabedzki;Katherine C. Elbert;K. Yager;C. Murray;Robert A. Riggleman;R. Composto
在有序聚（苯乙烯-b-甲基丙烯酸甲酯）（PS-b-PMMA）嵌段共聚物（BCP）片层内，接枝聚乙二醇的定向纳米片[掺镱的三氟化钆，GdF3:Yb/Er (20/2 mol %)]在颗粒间小间距处组装成排列的串。在这里，我们使用x射线散射、电子显微镜和混合粒子/自洽场理论模拟来研究这些排列组件的起源。从之前的报道来看，在BCP微域中插入纳米板预计会扰乱聚合物链，并在PS/PMMA界面扭曲以优化构象熵时产生局部区域凸起。虽然实验技术无法直接解决这种小的畸变，但平衡BCP纳米复合材料结构的二维模拟清楚地显示了纳米板周围形成的凸起。作为粒子分离的函数，平均力势（PMF）的计算结果显示其对应的全局最小值。
Within ordered poly(styrene-b-methyl methacrylate) (PS-b-PMMA) block copolymer (BCP) lamellae, oriented nanoplates [gadolinium trifluoride doped with ytterbium and erbium, GdF3:Yb/Er (20/2 mol %)] grafted with polyethylene glycol assemble into aligned strings at small interparticle separations. Herein, we investigate the origin of these aligned assemblies using X-ray scattering, electron microscopy, and hybrid particle/self-consistent field theory simulations. From previous reports, the insertion of a nanoplate in a BCP microdomain is expected to perturb the polymer chains and produce a local domain bulge as the PS/PMMA interface distorts to optimize conformational entropy. While experimental techniques are unable to directly resolve this small distortion, the two-dimensional simulations of the equilibrium BCP nanocomposite structure clearly show bulge formation around the nanoplates. As a function of particle separation, the potential of mean force (PMF) calculation reveals a global minimum corresponding...