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https://dspace.ctu.edu.vn/jspui/handle/123456789/12609
Title: | B₃@Si₁₂⁺: strong stabilizing effects of a triatomic cyclic boron unit on tubular silicon clusters. |
Authors: | Pham, Tan Hung Đặng, Thị Tuyết Mai Nguyen, Minh Tam Nguyen, Minh Tho Duong, Van Long |
Issue Date: | 2018 |
Series/Report no.: | Physical Chemistry Chemical Physics;20 .- p. 7588-7592 |
Abstract: | Remarkably strong effects of the aromatic B₃ cycle in stabilizing tubular silicon clusters were observed for the first time. The doped cluster B₃@Si₁₂⁺ presents a novel structural motif for silicon clusters in which a B₃ cycle is encapsulated into a (6 × 2) Si₁₂ prism giving rise to a high symmetry stable tubular structure (D₃h). A large amount of electron density is transferred to the boron cycle, and the B₃δ− unit not only retains a delocalized bonding pattern within the Si₁₂ prism but also enables a two-fold aromaticity for the resulting silicon double ring. This double ring can be used as a building block to make longer nanotubes. |
URI: | http://dspace.ctu.edu.vn/jspui/handle/123456789/12609 |
Appears in Collections: | Tạp chí quốc tế |
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File | Description | Size | Format | |
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_file_ | 2.15 MB | Adobe PDF | View/Open | |
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