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Alkali halide clusters produced by fast ion impact.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms ( IF 1.4 ) Pub Date : 2012-02-15 , DOI: 10.1016/j.nimb.2011.07.050
Francisco Alberto Fernandez-Lima 1 , Marco Antonio Chaer Nascimento , Enio Frota da Silveira
Affiliation  

The most abundant geometries and relative stabilities of alkali halide clusters with a (XY)(n) (o) configuration (e.g., LiF, NaCl, KBr) are described. Five main series were obtained: linear, cyclic, cubic, arc strips and nanotubes. The stability analysis shows that higher members are likely to be formed from the lower member of the same series and/or from two building blocks (n = 1, 2). The energy analysis (D-plot) indicates that the most compact ones (e.g., cubic and nanotubes) present higher stability when compared to the linear, cyclic and arc strip structures; moreover, relative stability between the cubic and nanotube series varies with the cluster size.

中文翻译:

快速离子撞击产生的碱卤化物簇。

描述了具有 (XY)(n) (o) 构型(例如 LiF、NaCl、KBr)的碱金属卤化物簇的最丰富的几何形状和相对稳定性。获得了五个主要系列:线性、环状、立方、弧带和纳米管。稳定性分析表明,较高的成员可能由同一系列的较低成员和/或由两个构建块 (n = 1, 2) 形成。能量分析(D-plot)表明,与线性、环状和弧形条带结构相比,最紧凑的结构(例如立方体和纳米管)表现出更高的稳定性;此外,立方体和纳米管系列之间的相对稳定性随簇大小而变化。
更新日期:2019-11-01
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