Complex Crystal Structures Formed by the Self-Assembly of Ditethered Nanospheres
Complex Crystal Structures Formed by the Self-Assembly of Ditethered Nanospheres
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DOI：
10.1021/nl900051u
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发表时间：
2009-03-01
期刊：
影响因子：
10.8
通讯作者：
Glotzer, Sharon C.
中科院分区：
文献类型：
--
作者：
Iacovella, Christopher R.;Glotzer, Sharon C.
我们报告的结果从计算研究的两亲性dithered纳米球的自组装分子模拟。作为一个函数的相互作用强度和方向性的系链-系链相互作用，我们预测形成四个高度有序的相以前没有报道的纳米颗粒系统。我们发现了一个双金刚石结构，具有纳米颗粒的互补金刚石网络（ZnS/D）的球形胶束的（二元金刚石）排列，具有纳米颗粒的互补简单立方网络的NaCl结构中的交替球形胶束的相，以形成与AlCu 2 Mn（NaCl/SC）相同的总体晶体结构，交替的四重有序圆柱相与纳米颗粒的四重网格;由[8，8，4]阿基米德镶嵌（TC/T）描述，以及交替的金刚石相，其中两个金刚石网络都由纳米颗粒基质内的系链（AD）形成。我们比较这些结构与线性和星星三嵌段共聚物系统中观察到的。
We report the results from a computational study of the self-assembly of amphiphilic ditethered nanospheres using molecular simulation. As a function of the interaction strength and directionality of the tether-tether interactions, we predict the formation of four highly ordered phases not previously reported for nanoparticle systems. We find a double diamond structure comprised of a zinc blende (binary diamond) arrangement of spherical micelles with a complementary diamond network of nanoparticles (ZnS/D), a phase of alternating spherical micelles in a NaCl structure with a complementary simple cubic network of nanoparticles to form an overall crystal structure identical to that of AlCu2Mn (NaCl/SC), an alternating tetragonal ordered cylinder phase with a tetragonal mesh of nanoparticles; described by the [8,8,4] Archimedean tiling (TC/T), and an alternating diamond phase in which both diamond networks are formed by the tethers (AD) within a nanoparticle matrix. We compare these structures with those observed in linear and star triblock copolymer systems.