Diblock copolymer templated self-assembly of grafted nanoparticles under circular pore confinement,Soft Matter

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Diblock copolymer templated self-assembly of grafted nanoparticles under circular pore confinement
Soft Matter ( IF 2.9 ) Pub Date : 2020/03/02 , DOI: 10.1039/d0sm00124d
Supriya Gupta _{1,

2,

3,

4} , Paresh Chokshi _{1,

2,

3,

4}

Affiliation

Geometrical confinement plays an important role in generating novel molecular organization arising out of structural frustration and confinement-induced entropy loss. In the present study, we perform self-consistent mean-field theoretical calculations to examine a mixture of a diblock copolymer and polymer grafted nanoparticles confined in a cylindrical nanopore. The two-dimensional analysis is aimed at constructing the equilibrium nanostructures decorated with particles in an ordered manner. The rich variety of ordered mesophases of the diblock copolymer under confinement provide a template to achieve the self-assembly of nanoparticles in a selective domain. The localization behavior of nanoparticles under confinement is found to be qualitatively different from that in a bulk system. In particular, for the concentric lamellar phase the particles tend to localize predominantly in the region of greater curvature within the curved lamella. The incorporation of grafted nanoparticles also results in a transition in ordered phases. Various equilibrium morphologies are observed depending upon the degree of confinement, particle loading, density of grafted segments and selectivity of the particle core to the polymeric species. The ordering of particles and the ensuing equilibrium nanostructures are analyzed. The comprehensive understanding of the self-assembly behavior of particles enables one to design novel nanomaterials with desirable material properties.

中文翻译：

圆孔约束下接枝纳米粒子的二嵌段共聚物模板化自组装

几何限制在产生新的分子组织方面起着重要作用，这种分子组织是由于结构的挫败和限制引起的熵损失而产生的。在本研究中，我们执行自洽平均场理论计算，以检查封闭在圆柱形纳米孔中的二嵌段共聚物和聚合物接枝纳米颗粒的混合物。二维分析旨在构建以有序方式装饰有颗粒的平衡纳米结构。在限制条件下，二嵌段共聚物的有序中间相的丰富多样性为实现纳米颗粒在选择性域中的自组装提供了模板。发现在约束条件下纳米粒子的定位行为与本体系统在质量上有差异。尤其是，对于同心层状相，颗粒倾向于主要定位在弯曲薄片内的较大曲率区域内。接枝的纳米颗粒的掺入还导致有序相的转变。观察到各种平衡形态，这取决于限制程度，颗粒负载，接枝链段的密度以及颗粒核对聚合物种类的选择性。分析了颗粒的顺序和随后的平衡纳米结构。对颗粒的自组装行为的全面理解使人们能够设计出具有所需材料性能的新型纳米材料。观察到各种平衡形态，这取决于限制程度，颗粒负载，接枝链段的密度以及颗粒核对聚合物种类的选择性。分析了颗粒的顺序和随后的平衡纳米结构。对颗粒的自组装行为的全面理解使人们能够设计出具有所需材料性能的新型纳米材料。观察到各种平衡形态，这取决于限制程度，颗粒负载，接枝链段的密度以及颗粒核对聚合物种类的选择性。分析了颗粒的顺序和随后的平衡纳米结构。对颗粒的自组装行为的全面理解使人们能够设计出具有所需材料性能的新型纳米材料。

更新日期：2020-04-08

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