Ab Initio Study of the Size-Dependent Effect on the Covalent Functionalization of Single Walled Carbon Nanotubes with Hydroxyl, Amine and Carboxyl Groups

2012 ◽  
Vol 12 (11) ◽  
pp. 8635-8639 ◽  
Author(s):  
Bessem Ben Doudou ◽  
Jun Chen ◽  
Alexandre Vivet ◽  
Christophe PoîLane
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Walled Carbon Nanotubes ◽  
Carboxyl Groups ◽  
Ab Initio Study ◽  
Covalent Functionalization ◽  
Dependent Effect ◽  
Single Walled Carbon ◽  
Size Dependent ◽  
Walled Carbon Nanotubes

Functionalization of silicon-doped single walled carbon nanotubes at the doping site: An ab initio study

2006 ◽  
Vol 358 (2) ◽  
pp. 166-170 ◽  
Author(s):  
Chen Song ◽  
Yueyuan Xia ◽  
Mingwen Zhao ◽  
Xiangdong Liu ◽  
Feng Li ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Walled Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Walled Carbon ◽  
Silicon Doped ◽  
Walled Carbon Nanotubes

Interaction of single-walled carbon nanotubes with alkylamines: An ab initio study

2006 ◽  
Vol 499 (1-2) ◽  
pp. 256-258 ◽  
Author(s):  
Olga V. Pupysheva ◽  
Amir A. Farajian ◽  
Hitoshi Nejo ◽  
Hiroshi Mizuseki ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Walled Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene

2000 ◽  
Vol 326 (1-2) ◽  
pp. 181-185 ◽  
Author(s):  
Gregory Van Lier ◽  
Christian Van Alsenoy ◽  
Vic Van Doren ◽  
Paul Geerlings
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Elastic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Ab initio study of base-functionalized single walled carbon nanotubes

2005 ◽  
Vol 415 (1-3) ◽  
pp. 183-187 ◽  
Author(s):  
Chen Song ◽  
Yueyuan Xia ◽  
Mingwen Zhao ◽  
Xiangdong Liu ◽  
Feng Li ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Single Walled Carbon Nanotubes ◽  
Ab Initio Study ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes
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