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

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)...

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Bibliographic Details
Main Author: Metin Aydin
Format: Article
Language:English
Published: Hindawi - SAGE Publishing 2014-10-01
Series:Nanomaterials and Nanotechnology
Subjects:
BNNT
DWBNNT
Formation Energy
Interwall Distance
Charge Transfer
Raman and IR Spectroscopy
DFT
Online Access:http://www.intechopen.com/journals/nanomaterials_and_nanotechnology/dependence-of-geometric-and-spectroscopic-properties-of-double-walled-boron-nitride-nanotubes-on-int

Internet

http://www.intechopen.com/journals/nanomaterials_and_nanotechnology/dependence-of-geometric-and-spectroscopic-properties-of-double-walled-boron-nitride-nanotubes-on-int

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