Heteroatomic Nanotubes with Quasi-One-Dimensional Superlattice Structure
We have fulfilled modeling of molecular and electronic structure of nanotubes B x N x C y (x ≥ 0, y ≥ 0) with various atom dispositions in the hexagonal lattice points on cylinder surfaces. Electronic spectra of such systems with a quasi-one-dimensional superlattice structure have been investigated...
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Veröffentlicht in: | The journal of physical chemistry. B 1997-01, Vol.101 (5), p.705-709 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | We have fulfilled modeling of molecular and electronic structure of nanotubes B x N x C y (x ≥ 0, y ≥ 0) with various atom dispositions in the hexagonal lattice points on cylinder surfaces. Electronic spectra of such systems with a quasi-one-dimensional superlattice structure have been investigated in the topological and valence approximations. We suppose that these nanotubes consist of alternating carbon and boron nitride ring-like or chain-like structures. We have demonstrated that these systems with different extent of minizones in the electronic spectrum can be produced by means of a change of belt-like fragment width. Quasi-localized states were found in C 2 m symmetry nanotubes. |
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ISSN: | 1520-6106 1520-5207 |
DOI: | 10.1021/jp961669o |