表面效应对AuCu纳米线机械延伸的影响：去合金化和混合悬浮原子链的形成
Surface Effects on the Mechanical Elongation of AuCu Nanowires: De-alloying and the Formation of Mixed Suspended Atomic Chains
摘要：
利用高分辨透射电子显微镜（HRTEM）对Cu（1-x）原子线的机械形变进行了原子学研究。分子动力学模拟也进行了，以获得更深入的了解拉伸纳米线的动力学性质。机械性能显着依赖于在交界处随时间演变的化学成分;一些结构表现出显着的去合金化行为。此外，我们的研究结果代表了第一个实验实现的混合线性原子链（LACs）之间的过渡金属和贵金属，特别是，表面能诱导化学梯度的NW表面上，可以利用控制相对的LAC组合物（不同数量的金和铜原子）。这些结果的纳米催化和自旋运输的一个原子厚的金属线的影响。
英文摘要：
We report here an atomistic study of the mechanical deformation of AuxCu(1-x) atomic-size wires (NWs) by means of high resolution transmission electron microscopy (HRTEM) experiments. Molecular dynamics simulations were also carried out in order to obtain deeper insights on the dynamical properties of stretched NWs. The mechanical properties are significantly dependent on the chemical composition that evolves in time at the junction; some structures exhibit a remarkable de-alloying behavior. Also, our results represent the first experimental realization of mixed linear atomic chains (LACs) among transition and noble metals; in particular, surface energies induce chemical gradients on NW surfaces that can be exploited to control the relative LAC compositions (different number of gold and copper atoms). The implications of these results for nanocatalysis and spin transport of one-atom-thick metal wires are addressed.
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