Quantitatively Modeling the Capping Effect on Nanocrystallized Metal Polyhedra
Quantitatively Modeling the Capping Effect on Nanocrystallized Metal Polyhedra
复制标题
定量模拟纳米晶金属多面体的覆盖效应
DOI：
10.1166/nnl.2011.1175
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发表时间：
2011-06
影响因子：
--
通讯作者：
Zhu, Guanjia
中科院分区：
文献类型：
--
作者：
Xue, Dongfeng;Zhu, Guanjia
An analytical model is proposed to estimate the ideal morphology of palladium single nanocrystal and further employed to predict the favored shape in the presence of bromide or iodide, when capturing the kinetic chemical bonding environment in various conditions. Owing to their distinct chemical adsorption phases that can radically change the original dynamic chemical bonding environment around nonequivalent crystallographic planes through altering unsaturated sites strength and density, bromide can aid the exposure of {100} facets dominating the cubic shape, while iodide can promote the formation of octahedron and rhombic dodecahedron in different cases. The theoretical predictions are in a good agreement with experimental observations. Our results also show that the formation of certain plane ({110} facets) is associated with the alteration of surface step orientation. The current work can deepen our understanding of the capping effect on the nanoscale evolution of particular crystallographic planes.
