Evolution of the electronic properties of metallic single-walled carbon nanotubes with the degree of CCl2 covalent functionalization

Article Abstract:

The changes in energetic, structural and electronic properties of the metallic (5,5) single-walled carbon nanotube (SWNT) with the degree of sidewall covalent functionalization of CCl2 are investigated by using density functional theory calculations. The results agree well with the experiments and can be applied to predict the band gap of metallic SWNTs produced by the HiPco method at a given CCl2 functionalization concentration.

Density functionals, Density functional theory, Structure

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Mechanisms and epitaxial relationships between close-packed and BCC lattices in block copolymer solutions

Article Abstract:

The epitaxial relationships between two close-packed lattices, hexagonally close packed - body centered cubic (hcp - bcc) and face centered cubic (fcc) - bcc transformations are investigated by small angle X-ray scattering (SAXS) with an in situ shear cells. The mechanisms and the resulting orientation relationships (ORs) between fcc/hcp and bcc are consistent with analogous martensitic transformations in simple metals.

Cells (Biology), Cells, X-ray spectroscopy, Block copolymers

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Assignment of the fine structure in the optical absorption spectra of soluble single -walled carbon nanotubes

Article Abstract:

The electronic and optical properties of single-walled carbon nanotubes (SWNTs) depend on the diameter and chiralities. A procedure based on wet chemistry and dispersion-centrifugation cycles to disperse and purify the electric -arc-produced soot into well-separated SWNTs is described.

Chirality, Optical properties

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