Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods
Theoretical Description of the Role of Halides, Silver, and Surfactants on the Structure of Gold Nanorods
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DOI：
10.1021/nl404661u
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发表时间：
2014-02-01
期刊：
影响因子：
10.8
通讯作者：
Lopez, Nuria
中科院分区：
文献类型：
--
作者：
Almora-Barrios, Neyvis;Novell-Leruth, Gerard;Lopez, Nuria
包括分散的密度泛函理论模拟提供了不同化合物在金纳米棒合成中的作用的原子描述。各向异性是由表面活性剂、溴和银之间形成的络合物引起的，该络合物优先吸附在种子的某些面上，阻止它们进一步生长。反过来，纳米棒结构由表面活性剂的择优吸附驱动，这诱导了开放的{520}横向刻面的出现。
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.