Geodesic
Migration processes on the surface of carbon nanotubes with substitute boron atoms
Nanosistemy: fizika, himiâ, matematika, Tome 5 (2014) no. 1, pp. 107-112 Cet article a éte moissonné depuis la source Math-Net.Ru

Voir la notice de l'article

The paper presents theoretical research into vacancy formation in two types of boron-carbon nanotubes BCn, where n = 3. The research was performed using the MNDO method within the framework of an ionic-embedded covalent-cyclic cluster model, molecular cluster model and DFT method. We found that when a V-defect (vacancy) is introduced in a boron-carbon nanotube, the band gap of the defective tubules increases. This means that physical properties of materials can be purposefully changed by introducing defects. Vacancy migration along the atomic bonds in the tubule was simulated and vacancy transport properties were studied. It was found that the defect migration along di erent bonds actually represents the process of carbon or boron ions hopping between their stable states on the nanotube surface.
Keywords: vacancy, activation energy, vacancy migration, semi-empirical methods of investigation.
Mots-clés : boron-carbon nanotubes 
@article{NANO_2014_5_1_a13,
     author = {S. Boroznin and E. Boroznina and I. V. Zaporotskova and P. A. Zaporotskov and O. A. Davletova},
     title = {Migration processes on the surface of carbon nanotubes with substitute boron atoms},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {107--112},
     year = {2014},
     volume = {5},
     number = {1},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2014_5_1_a13/}
}
TY  - JOUR
AU  - S. Boroznin
AU  - E. Boroznina
AU  - I. V. Zaporotskova
AU  - P. A. Zaporotskov
AU  - O. A. Davletova
TI  - Migration processes on the surface of carbon nanotubes with substitute boron atoms
JO  - Nanosistemy: fizika, himiâ, matematika
PY  - 2014
SP  - 107
EP  - 112
VL  - 5
IS  - 1
UR  - http://geodesic.mathdoc.fr/item/NANO_2014_5_1_a13/
LA  - en
ID  - NANO_2014_5_1_a13
ER  - 
%0 Journal Article
%A S. Boroznin
%A E. Boroznina
%A I. V. Zaporotskova
%A P. A. Zaporotskov
%A O. A. Davletova
%T Migration processes on the surface of carbon nanotubes with substitute boron atoms
%J Nanosistemy: fizika, himiâ, matematika
%D 2014
%P 107-112
%V 5
%N 1
%U http://geodesic.mathdoc.fr/item/NANO_2014_5_1_a13/
%G en
%F NANO_2014_5_1_a13
S. Boroznin; E. Boroznina; I. V. Zaporotskova; P. A. Zaporotskov; O. A. Davletova. Migration processes on the surface of carbon nanotubes with substitute boron atoms. Nanosistemy: fizika, himiâ, matematika, Tome 5 (2014) no. 1, pp. 107-112. http://geodesic.mathdoc.fr/item/NANO_2014_5_1_a13/