Two-stage formation model and helicity of gold nanowires.
Two-stage formation model and helicity of gold nanowires.
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DOI：
10.1103/physrevlett.99.125507
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发表时间：
2006-11
影响因子：
8.6
通讯作者：
Y. Iguchi;T. Hoshi;T. Fujiwara
中科院分区：
文献类型：
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作者：
Y. Iguchi;T. Hoshi;T. Fujiwara
提出了一个螺旋多壳层金纳米线形成的模型，并与量子力学分子动力学模拟证实。该模型可以解释多壳层结构中螺旋状金纳米线的幻数。从理想的非螺旋纳米线到实际的螺旋纳米线的重构包括两个阶段：最外层原子与内壳原子的解离和原子行的滑移变形，在最外层产生类（111）结构。基本过程由s和d电子的能量损失和增益之间的竞争以及d带的宽度决定。讨论了铂、银和铜螺旋纳米线的可能性。
A model for the formation of helical multishell gold nanowires is proposed and is confirmed with quantum mechanical molecular dynamics simulations. The model can explain the magic number of the helical gold nanowires in the multishell structure. The reconstruction from ideal nonhelical to realistic helical nanowires consists of two stages: dissociations of atoms on the outermost shell from atoms on the inner shell and slip deformations of atom rows generating (111)-like structure on the outermost shell. The elementary processes are governed by competition between energy loss and gain by s and d electrons together with the width of the d band. The possibility for the helical nanowires of platinum, silver, and copper is discussed.