Electronic and structural properties of Au-doped zigzag boron nitride nanotubes: A DFT study

2014 ◽  
Vol 189 ◽  
pp. 1-4 ◽  
Author(s):  
Mosahhar Bagheri ◽  
Ali Bahari ◽  
Masoud Amiri ◽  
Behnam Dehbandi
Keyword(s):  
Boron Nitride ◽  
Structural Properties ◽  
Boron Nitride Nanotubes ◽  
Dft Study ◽  
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.

DFT study of X-doped (X= Cu, Ag, Au) boron nitride nanotubes for spintronic and optoelectronic applications

Optik ◽  
2021 ◽  
Vol 225 ◽  
pp. 165863
Author(s):  
A. Kebabi ◽  
A. Bentabet ◽  
F. Djeffal ◽  
H. Ferhati ◽  
N. Benmekideche ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Dft Study ◽  
Optoelectronic Applications

DFT Study of PH3 Physisorption and Chemisorptions on Boron Nitride Nanotubes

2018 ◽  
Vol 92 (3) ◽  
pp. 540-546
Author(s):  
Mahdi Rakhshi ◽  
Mohsen Mohsennia ◽  
Hossein Rasa
Keyword(s):  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Dft Study

Growth of sub-nanometric palladium clusters on boron nitride nanotubes: a DFT study

2016 ◽  
Vol 18 (3) ◽  
pp. 1750-1757 ◽  
Author(s):  
Roberto Schimmenti ◽  
Remedios Cortese ◽  
Francesco Ferrante ◽  
Antonio Prestianni ◽  
Dario Duca
Keyword(s):  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Dft Study ◽  
Palladium Clusters

Boron nitride nanotubes as a template for the growth of sub-nanometric palladium clusters.

Variation of the electronic properties of zigzag boron nitride nanotubes by Al-doping: a DFT study

2016 ◽  
Vol 114 (20) ◽  
pp. 2936-2943 ◽  
Author(s):  
Zahra Tavangar ◽  
Masood Hamadanian ◽  
Hadi Basharnavaz
Keyword(s):  
Boron Nitride ◽  
Electronic Properties ◽  
Boron Nitride Nanotubes ◽  
Dft Study ◽  
Al Doping
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