Surface induced electron redistribution: A mechanism for mechanical strengthening of Au nanowires
Surface induced electron redistribution: A mechanism for mechanical strengthening of Au nanowires
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DOI：
10.1016/j.scriptamat.2006.07.002
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发表时间：
2006-11
影响因子：
6
通讯作者：
F. Ma;K. Xu
中科院分区：
文献类型：
--
作者：
F. Ma;K. Xu
对Au纳米线弹性模量和理论抗拉强度的原子尺度计算表明，它们随线变薄几乎成对数增加。根据从头算模拟，我们将力学性能的改善归因于表面诱导的电子电荷重新分布增强了原子之间的吸引力。
Atomic-scale calculation on the elastic modulus and theoretical tensile strength of Au nanowires shows that they increase almost logarithmically with wire thinning. According to ab initio simulations, we attribute the improvement of the mechanical properties to the enhanced attraction between atoms due to surface induced electron charge redistribution.