Role of Stone–Wales defects on the functionalization of (8,0) single wall carbon nanotubes by the amine group: Ab initio study

2011 ◽  
Vol 44 (1) ◽  
pp. 120-123 ◽  
Author(s):  
Bessem Ben Doudou ◽  
Jun Chen ◽  
Alexandre Vivet ◽  
Christophe Poîlane ◽  
M’hamed Ayachi
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Amine Group ◽  
Ab Initio Study ◽  
Single Wall Carbon

ab initio study of the exo-hydrogenated single wall carbon nanotubes

2019 ◽  
Vol 552 ◽  
pp. 124-129 ◽  
Author(s):  
Rana.M. Arif Khalil ◽  
Fayyaz Hussain ◽  
Muhammad Imran ◽  
Anwar Manzoor Rana ◽  
G. Murtaza
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Wall Carbon

A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes

2010 ◽  
Vol 247 (11-12) ◽  
pp. 2875-2879 ◽  
Author(s):  
Katrien De Blauwe ◽  
Yasumitsu Miyata ◽  
Paola Ayala ◽  
Hidetsugu Shiozawa ◽  
Duncan J. Mowbray ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Wall Carbon

Encapsulation of Metallocenes in Single-Wall Carbon Nanotubes: an Ab Initio Study

2007 ◽  
Author(s):  
Solange B. Fagan ◽  
D. L. Azevedo ◽  
J. Mendes Filho ◽  
A. G. Souza Filho
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Wall Carbon

Ab initio study of 2,3,7,8-tetrachlorinated dibenzo-p-dioxin adsorption on single wall carbon nanotubes

2007 ◽  
Vol 437 (1-3) ◽  
pp. 79-82 ◽  
Author(s):  
Solange B. Fagan ◽  
E.J.G. Santos ◽  
A.G. Souza Filho ◽  
J. Mendes Filho ◽  
A. Fazzio
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Wall Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Wall Carbon

Role of Many Body Shake-Up in Core-Valence-Valence Electron Emission from Single Wall Carbon Nanotubes

2011 ◽  
Vol 11 (10) ◽  
pp. 9143-9152 ◽  
Author(s):  
A. Sindona ◽  
M. Pisarra ◽  
S. Maletta ◽  
M. Commisso ◽  
P. Riccardi ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Electron Emission ◽  
Valence Electron ◽  
Single Wall Carbon Nanotubes ◽  
Many Body ◽  
Single Wall Carbon
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