Article ID Journal Published Year Pages File Type
5394588 Computational and Theoretical Chemistry 2012 8 Pages PDF
Abstract
► As doping of Sin clusters causes localized structural distortions. ► The close-packing effect is behind the enhanced stability of Sin and AsSin−1 clusters. ► Sin and AsSin−1 (n = 6, 10, 12, and 14) clusters exhibit enhanced stabilities. ► The energy ordering of low-lying Sin isomers may be reversed due to As doping. ► The metallic characters of AsSin−1 clusters may be enhanced by As doping.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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