Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer–Surface Interactions,Nano Letters

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Computationally Guided Assembly of Oriented Nanocubes by Modulating Grafted Polymer–Surface Interactions
Nano Letters ( IF 9.6 ) Pub Date : 2015-10-21 00:00:00 , DOI: 10.1021/acs.nanolett.5b02748
Kargal. L. Gurunatha ₁ , Sarrah Marvi ₁ , Gaurav Arya ₁ , Andrea R. Tao ₁

Affiliation

The bottom-up fabrication of ordered and oriented colloidal nanoparticle assemblies is critical for engineering functional nanomaterials beyond conventional polymer–particle composites. Here, we probe the influence of polymer surface ligands on the self-orientation of shaped metal nanoparticles for the formation of nanojunctions. We examine how polymer graft–surface interactions dictate Ag nanocube orientation into either edge–edge or face–face nanojunctions. Specifically, we investigate the effect of end-functionalized polymer grafts on nanocube assembly outcomes, such as interparticle angle and interparticle distance. Our assembly results can be directly mapped onto our theoretical phase diagrams for nanocube orientation, enabling correlation of experimental variables (such as graft length and metal binding strength) with computational parameters. These results represent an important step toward unifying modeling and experimental approaches to understanding nanoparticle–polymer self-assembly.

中文翻译：

通过调节接枝聚合物-表面相互作用的定向纳米立方体的计算引导组装。

自下而上的有序和定向的胶体纳米颗粒组装体的制造对于工程功能纳米材料的超越常规聚合物-颗粒复合材料的制造至关重要。在这里，我们探讨了聚合物表面配体对成形金属纳米颗粒自取向的影响，以形成纳米结。我们研究了聚合物接枝表面相互作用是如何将Ag纳米立方体的取向指示为边缘-边缘或面-面纳米结的。具体来说，我们研究了末端官能化的聚合物接枝对纳米立方体组装结果（例如粒子间角度和粒子间距离）的影响。我们的组装结果可以直接映射到我们的理论相图上，以实现纳米立方体的定向，使实验变量（例如移植物长度和金属结合强度）与计算参数相关联。这些结果代表了统一模型和实验方法以理解纳米粒子-聚合物自组装的重要一步。

更新日期：2015-10-21

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