Electronic structures of boron nitride nanotubes subjected to tension, torsion, and flattening: A first-principles DFT study

2010 ◽  
Vol 82 (8) ◽  
Author(s):  
Yusuke Kinoshita ◽  
Nobutada Ohno
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Electronic Structures ◽  
Boron Nitride Nanotubes ◽  
Dft Study

Capacity enhancement of polylithiated functionalized boron nitride nanotubes: an efficient hydrogen storage medium

2020 ◽  
Vol 22 (27) ◽  
pp. 15675-15682 ◽  
Author(s):  
Puspamitra Panigrahi ◽  
Ashok Kumar ◽  
Hyeonhu Bae ◽  
Hoonkyung Lee ◽  
Rajeev Ahuja ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Electronic Structures ◽  
Density Functional ◽  
Boron Nitride Nanotubes ◽  
Storage Medium ◽  
Functional Theory ◽  
Capacity Enhancement ◽  
Storage Properties ◽  
Hydrogen Storage Medium

By using first principles density functional theory simulations, we report detailed geometries, electronic structures and hydrogen (H2) storage properties of boron nitride nanotubes (BNNTs) doped with selective polylithiated molecules (CLi2).

First-Principles Calculations on Boron–Nitride Nanotubes

2004 ◽  
Vol 73 (9) ◽  
pp. 2469-2472 ◽  
Author(s):  
Noejung Park ◽  
Jongweon Cho ◽  
Hisashi Nakamura
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Boron Nitride Nanotubes ◽  
First Principles Calculations

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
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