Investigation of Possible Structures of Silicon Nanotubes via Density-Functional Tight-Binding Molecular Dynamics Simulations and ab Initio Calculations
β Scribed by Zhang, R. Q.; Lee, Ho-Lam; Li, Wai-Kee; Teo, Boon K.
- Book ID
- 126125336
- Publisher
- American Chemical Society
- Year
- 2005
- Tongue
- English
- Weight
- 630 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
By using ab initio density functional theory, the structural and electronic properties of Γ°n; nΓ@Γ°11; 11Γ double-walled silicon carbide nanotubes (SiCNTs) are investigated. Our calculations reveal the existence of an energetically favorable double-walled nanotube whose interwall distance is about 4.
## Abstract Imidazolium ionic liquids (ILs) can be functionalized by introducing ο£ΏNH~2~, which were found to be excellent solvents for CO~2~ capture and electrophile separation, however, some disadvantages, e.g., the relatively high viscosities, limit their eventual largeβscale applications. To und