Computational investigation of the electronic and structural properties of ultra small-diameter boron nitride nanotubes

2010 ◽  
Vol 405 (11) ◽  
pp. 2542-2544 ◽  
Author(s):  
Mahmoud Mirzaei ◽  
Masoud Giahi
Keyword(s):  
Boron Nitride ◽  
Structural Properties ◽  
Small Diameter ◽  
Boron Nitride Nanotubes ◽  
Computational Investigation ◽  
Electronic And Structural Properties

Effects of C1–3-doping on electronic and structural properties of Stone–Wales defective boron nitride nanotubes as well as their NO gas sensitivity

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11353-11369 ◽  
Author(s):  
Hossein Roohi ◽  
Layla Maleki
Keyword(s):  
Boron Nitride ◽  
Structural Properties ◽  
Boron Nitride Nanotubes ◽  
First Principle ◽  
Chemical Sensitivity ◽  
Gas Sensitivity ◽  
Electronic And Structural Properties

In this work, a first principle exploration was performed to investigate the electronic and structural properties of C-doped Stone–Wales (SW) defective (6,0) single-walled boron nitride nanotubes (BNNTs) as well as their chemical sensitivity toward NO gas using DFT approach.

Hydrogen-Catalyzed, Pilot-Scale Production of Small-Diameter Boron Nitride Nanotubes and Their Macroscopic Assemblies

ACS Nano ◽  
2014 ◽  
Vol 8 (6) ◽  
pp. 6211-6220 ◽  
Author(s):  
Keun Su Kim ◽  
Christopher T. Kingston ◽  
Amy Hrdina ◽  
Michael B. Jakubinek ◽  
Jingwen Guan ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Small Diameter ◽  
Pilot Scale ◽  
Boron Nitride Nanotubes ◽  
Scale Production ◽  
Pilot Scale Production

A theoretical first principles computational investigation into the potential of aluminum-doped boron nitride nanotubes for hydrogen storage

2020 ◽  
Vol 45 (19) ◽  
pp. 11176-11189 ◽  
Author(s):  
Mehdi Noura ◽  
Abbas Rahdar ◽  
S. Maryamdokht Taimoory ◽  
John J. Hayward ◽  
S. Iraj Sadraei ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hydrogen Storage ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
Computational Investigation

Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.

2011 ◽  
Vol 1307 ◽  
Author(s):  
Samir S. Coutinho ◽  
David L. Azevedo ◽  
Douglas S. Galvão
Keyword(s):  
Boron Nitride ◽  
Electric Field ◽  
Ab Initio ◽  
Band Gap ◽  
External Electric Field ◽  
Structural Properties ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Electronic And Structural Properties ◽  
Gap Values

ABSTRACTRecently, several experiments and theoretical studies demonstrated the possibility of tuning or modulating band gap values of nanostructures composed of bi-layer graphene, bi-layer hexagonal boron-nitride (BN) and hetero-layer combinations. These triple layers systems present several possibilities of stacking. In this work we report an ab initio (within the formalism of density functional theory (DFT)) study of structural and electronic properties of some of these stacked configurations. We observe that an applied external electric field can alter the electronic and structural properties of these systems. With the same value of the applied electric field the band gap values can be increased or decreased, depending on the layer stacking sequences. Strong geometrical deformations were observed. These results show that the application of an external electric field perpendicular to the stacked layers can effectively be used to modulate their inter-layer distances and/or their band gap values.

Coalescence of BnNn fullerenes: A new pathway to produce boron nitride nanotubes with small diameter

2012 ◽  
Vol 376 (17) ◽  
pp. 1465-1467 ◽  
Author(s):  
Yongliang Yong ◽  
Kai Liu ◽  
Bin Song ◽  
Pimo He ◽  
Peng Wang ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Small Diameter ◽  
Boron Nitride Nanotubes
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