Investigation of adsorbed small-molecule on boron nitride nanotube (BNNT) based on first-principles calculations

2018 ◽  
Author(s):  
Nianduan Lu ◽  
Wei Wei ◽  
Xichen Chuai ◽  
Yuhan Mei ◽  
Ling Li ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Small Molecule ◽  
First Principles ◽  
Boron Nitride Nanotube ◽  
First Principles Calculations

Designing two Dimensional Dodecagonal Boron Nitride

CrystEngComm ◽  
2022 ◽  
Author(s):  
Hajime Suzuki ◽  
Itsuki Miyazato ◽  
Tanveer Hussain ◽  
Fatih Ersan ◽  
Satoshi Maeda ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations

Two-dimensional dodecagonal boron nitride is designed via first principles calculations. Calculations unveil that the proposed two-dimensional dodecagonal boron nitride is energetically stable and less dense than what is observed with...

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
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