Correlation and size dependence of the lattice strain, binding energy, elastic modulus, and thermal stability for Au and Ag nanostructures
Correlation and size dependence of the lattice strain, binding energy, elastic modulus, and thermal stability for Au and Ag nanostructures
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DOI：
10.1063/1.3569743
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发表时间：
2011-04
影响因子：
3.2
通讯作者：
X. Liu;Zhaofeng Zhou;Li Yang;Jin Li;G. Xie;S. Fu;Changyong Sun
中科院分区：
文献类型：
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作者：
X. Liu;Zhaofeng Zhou;Li Yang;Jin Li;G. Xie;S. Fu;Changyong Sun
作为一组奇妙的材料，纳米级的金和银表现出许多有趣的特性，这些特性在它们的大块对应物中看不到。然而，一致的洞察力背后的魅力和它们的相互依存关系的一个综合模型是非常可取的机制。基于Goldschmidt-Pauling的键收缩规则及其扩展到局部键能，结合能密度和原子内聚能，我们已经开发了这样一个模型，该模型能够从趋肤深度键序损失的角度调和所观察到的晶格应变，芯能级位移，弹性模量和Au和Ag纳米结构的热稳定性的尺寸依赖性。测量的尺寸趋势的理论再现证实，欠配位诱导的局部键收缩，键强度增益，和相关的结合能密度增益，内聚能损失和可调分数的这种欠配位原子决定观察到的魅力，这应该SH…
As a group of wonder materials, gold and silver at the nanoscale demonstrate many intriguing properties that cannot be seen from their bulk counterparts. However, consistent insight into the mechanism behind the fascinations and their interdependence given by one integrated model is highly desirable. Based on Goldschmidt-Pauling’s rule of bond contraction and its extension to the local bond energy, binding energy density, and atomic cohesive energy, we have developed such a model that is able to reconcile the observed size dependence of the lattice strain, core level shift, elastic modulus, and thermal stability of Au and Ag nanostructures from the perspective of skin-depth bond order loss. Theoretical reproduction of the measured size trends confirms that the undercoordination-induced local bond contraction, bond strength gain, and the associated binding energy density gain, the cohesive energy loss and the tunable fraction of such undercoordinated atoms dictate the observed fascinations, which should sh...