Institute of Chemical Research of Catalonia, ICIQ , Av. Països Catalans, 16, 43007 Tarragona, Spain.
Nano Lett. 2014 Feb 12;14(2):871-5. doi: 10.1021/nl404661u. Epub 2014 Jan 15.
Density functional theory simulations including dispersion provide an atomistic description of the role of different compounds in the synthesis of gold-nanorods. Anisotropy is caused by the formation of a complex between the surfactant, bromine, and silver that preferentially adsorbs on some facets of the seeds, blocking them from further growth. In turn, the nanorod structure is driven by the perferential adsorption of the surfactant, which induces the appearance of open {520} lateral facets.
密度泛函理论模拟（包括色散校正）提供了一个原子水平的描述，说明了不同化合物在金纳米棒合成中的作用。各向异性是由表面活性剂、溴和银形成的复合物引起的，该复合物优先吸附在种子的某些晶面上，阻止它们进一步生长。反过来，纳米棒结构是由表面活性剂的优先吸附驱动的，这诱导了{520} 面的出现。
