Electronic structures of nitrogen doped single walled carbon nanotubes with uniaxial strain: Ab initio method approach

2007 ◽  
Author(s):  
Hong-Lae Park ◽  
Yong-Chae Chung
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Electronic Structures ◽  
Single Walled Carbon Nanotubes ◽  
Uniaxial Strain ◽  
Ab Initio Method ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes ◽  
Method Approach

Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

2005 ◽  
Vol 411 (1-3) ◽  
pp. 256-261 ◽  
Author(s):  
David Quiñonero ◽  
Antonio Frontera ◽  
Carolina Garau ◽  
Antoni Costa ◽  
Pablo Ballester ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Walled Carbon Nanotubes ◽  
Lithium Insertion ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

scholarly journals Unusual transport characteristics of nitrogen-doped single-walled carbon nanotubes

2008 ◽  
Vol 93 (4) ◽  
pp. 043113 ◽  
Author(s):  
Yo-Sep Min ◽  
Eun Ju Bae ◽  
Un Jeong Kim ◽  
Eun Hong Lee ◽  
Noejung Park ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

scholarly journals Dissociative adsorption of O2 on negatively charged nitrogen-doped single-walled carbon nanotubes: first-principles calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (87) ◽  
pp. 84155-84163 ◽  
Author(s):  
Divya Srivastava ◽  
Kari Laasonen
Keyword(s):  
Carbon Nanotubes ◽  
Dft Calculations ◽  
First Principles ◽  
Single Walled Carbon Nanotubes ◽  
Dissociative Adsorption ◽  
First Principles Calculations ◽  
Nitrogen Doped ◽  
Single Walled Carbon ◽  
Additional Charges ◽  
Walled Carbon Nanotubes

Spin unrestricted DFT calculations have been used to study the molecular and dissociative adsorption of O2 on achiral substitutional nitrogen-doped single-walled carbon nanotubes with and without additional charges.

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