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• W2034246205 abstract "The structural and electronic properties of sheets and nanotubes of boron are investigated using density functional theory. The calculations predict the stability of a novel reconstructed {1 2 2 1} sheet over the ‘idealized’ triangular {1 2 1 2} sheet. Nanotubes formed by wrapping the half-metallic {1 2 2 1} sheet show a curvature-induced transition in their electronic properties. Analysis of the charge density reveals a mixed metallic- and covalent-type of bonding in the reconstructed {1 2 2 1} sheet and the corresponding nanotubes, in contrast to metallic-type bonding in the idealized {1 2 1 2} sheet and its analogous nanotubes." @default.
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• W2034246205 date "2006-02-01" @default.
• W2034246205 modified "2023-09-25" @default.
• W2034246205 title "First-principles study of the stability and electronic properties of sheets and nanotubes of elemental boron" @default.
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• W2034246205 doi "https://doi.org/10.1016/j.cplett.2005.10.104" @default.
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