The excitonic effects in single and double-walled boron nitride nanotubes

Vibroelectronic Properties of Functionalized Single- Walled Carbon Nanotubes and Double-walled Boron Nitride Nanotubes

Heteroepitaxial Growth of Single-Walled Carbon Nanotubes from Boron Nitride

The growth of single-walled carbon nanotubes (SWCNTs) with predefined structure is of great importance for both fundamental research and their practical applications. Traditionally, SWCNTs are grown from a metal catalyst with a vapor-liquid-solid mechanism, where the catalyst is in liquid state with fluctuating structures, and it is intrinsically unfavorable for the structure control of SWCNTs....

Ab initio studies of vacancies in (8,0) and (8,8) Single-walled carbon and boron nitride nanotubes.

A systematic study of vacancies in single-walled carbon nanotubes and boron nitride nanotubes was carried out. First principles calculations within the framework of density functional theory using the CASTEP code are used to optimize fully the geometries of the systems. The generalized gradient approximation is used for the exchange-correlation functional. We find that the pristine single-walle...

Young modulus and elastic properties of single-walled boron nitride nanotubes probed by in-situ TEM

In recent years a significant interest has been devoted to boron nitride nanotubes (BNNTs) due to their intriguing physical properties, which make them a possible alternative to their carbon brethren in regards to possible applications [1,2,3]. However, in contrast to CNTs for which many studies have been focused in their properties, including the mechanical ones, there are almost no data for B...

Dependence of Geometric and Spectroscopic Properties of Double-walled Boron Nitride Nanotubes on Interwall Distance

We have used density functional theory (DFT) and time dependent (TD)-DFT to systematically investigate the dependency of the geometric and vibroelectronic properties of zigzag and armchair-type doublewalled boron nitride nanotubes ((0,m)@(0,n) and (m,m) @(n,n)-DWBNNTs) on the interwall distance (ΔR) and the number of unit cells. The results of the calculations showed that their structural stabi...