作者
IL Garzón, MR Beltrán, G González, I Gutıerrez-González, K Michaelian, JA Reyes-Nava, JI Rodrıguez-Hernández
发表日期
2003/6/1
期刊
The European Physical Journal D-Atomic, Molecular, Optical and Plasma Physics
卷号
24
期号
1
页码范围
105-109
出版商
Springer Berlin/Heidelberg
简介
Theoretical and experimental information on the shape and morphology of bare and passivated gold clusters is fundamental to predict and understand their electronic, optical, and other physical and chemical properties. An effective theoretical approach to determine the lowest-energy configuration (global minimum) and the structures of low energy isomers (local minima) of clusters is to combine genetic algorithms and many-body potentials (to perform global structural optimizations), and first-principles density functional theory (to confirm the stability and energy ordering of the local minima). The main trend emerging from structural optimizations of bare Au clusters in the size range of 12-212 atoms indicates that many topologically interesting low-symmetry, disordered structures exist with energy near or below the lowest-energy ordered isomer. For example, chiral structures have been obtained as the …
引用总数
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学术搜索中的文章
IL Garzón, MR Beltrán, G González… - The European Physical Journal D-Atomic, Molecular …, 2003