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...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:The journal of physical chemistry. B 1997-01, Vol.101 (5), p.705-709
Hauptverfasser: Gal'pern, Elena G, Pinyaskin, Vladimir V, Stankevich, Ivan V, Chernozatonskii, Leonid A
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
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.
ISSN:1520-6106
1520-5207
DOI:10.1021/jp961669o