Ordered nanostructures self-assembled from block copolymer tethered nanoparticles.
Ordered nanostructures self-assembled from block copolymer tethered nanoparticles.
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DOI：
10.1021/nn101121n
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发表时间：
2010-08
期刊：
影响因子：
17.1
通讯作者：
Xiaomeng Zhu;Liquan Wang;Jiaping Lin;Liangshun Zhang
中科院分区：
文献类型：
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作者：
Xiaomeng Zhu;Liquan Wang;Jiaping Lin;Liangshun Zhang
采用自洽场理论(SCFT)和密度泛函理论(DFT)相结合的方法，研究了AB型二嵌段共聚物链系单个球形粒子P(ABP分子)的自组装行为。研究了两种情况：一种是颗粒对A和B区块都是化学中性的，另一种是颗粒对这两个区块都不有利。对于中性粒子，ABP分子自组装成典型的平衡微结构，如片状和圆柱状。P粒子定域在B块区，粒子的大小影响相行为。对于不利的颗粒，ABP分子微相分离形成不同的有序结构。观察到了层次化结构，如界面处有圆柱体的圆柱体和界面上有圆柱体的薄片。得到的这些分级结构主要由两个参数决定：嵌段分数f(A)和颗粒大小R(P)。在计算结果的基础上，绘制了相图。
Combining the self-consistent field theory (SCFT) and the density functional theory (DFT), we investigated the self-assembly behavior of AB diblock copolymer tethered single spherical particle P (ABP molecules). Two cases were studied: one is where the particles are chemically neutral to both A and B blocks, and the other is where the particles are unfavorable to neither of the two blocks. For neutral particles, the ABP molecules self-assemble to typical equilibrium microstructures, such as lamellae and cylinders. The P particles are localized in B block domains, and the size of particles can influence the phase behavior. For unfavorable particles, the ABP molecules microphase separate to form distinct ordered structures. Hierarchical structures, such as cylinders with cylinders at the interfaces and lamellae with cylinders at the interfaces, were observed. These resulting hierarchical structures are mainly determined by two parameters: A block fraction f(A) and particle size R(P). On the basis of the calculation results, phase diagrams were constructed.