| Literature DB >> 22389542 |
Francisco Alberto Fernandez-Lima1, Marco Antonio Chaer Nascimento, Enio Frota da Silveira.
Abstract
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.Entities:
Year: 2012 PMID: 22389542 PMCID: PMC3290408 DOI: 10.1016/j.nimb.2011.07.050
Source DB: PubMed Journal: Nucl Instrum Methods Phys Res B ISSN: 0168-583X Impact factor: 1.377