scholarly journals Adsorption of triclosan on single wall carbon nanotubes: A first principle approach

2017 ◽  
Vol 403 ◽  
pp. 519-524 ◽  
Author(s):  
S.M. Castro ◽  
A.B. Araújo ◽  
R.F.P. Nogueira ◽  
S. Guerini
Keyword(s):  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
First Principle ◽  
Single Wall Carbon

A First-Principle Study of One-Dimensional Carbon Atomic Chain Inserted Single-Wall Carbon Nanotubes

2006 ◽  
Vol 6 (5) ◽  
pp. 1482-1485 ◽  
Author(s):  
Yuliang Mao ◽  
Jianxin Zhong ◽  
Jianmei Yuan ◽  
Xinluo Zhao ◽  
Yoshinori Ando
Keyword(s):  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
First Principle ◽  
Atomic Chain ◽  
Single Wall Carbon ◽  
One Dimensional

Simulation for Hydrogen Absorption on Single Wall Carbon Nanotubes Using the First Principle

2012 ◽  
Vol 472-475 ◽  
pp. 1787-1791
Author(s):  
A Qing Chen ◽  
Qing Yi Shao ◽  
Li Wang
Keyword(s):  
Carbon Nanotubes ◽  
Hydrogen Storage ◽  
Hydrogen Absorption ◽  
Density Functional ◽  
Storage Capacity ◽  
Single Wall Carbon Nanotubes ◽  
First Principle ◽  
Hydrogen Storage Capacity ◽  
Functional Theory ◽  
Single Wall Carbon

The hydrogen storage on single wall carbon is studied by using the first principle based on density functional theory (DFT). It concludes that the adsorption of hydrogen on the bare distorted single carbon nanotubes (SWNTs) can be enhanced dramatically when the single wall carbon nanotubes are rotated along the tubs axis. On the other hand, it suggests that the hydrogen storage capacity of SWNTs depend on the deformation angles.

Calculating Hydrogen Absorption on Single Wall Carbon Nanotubes with Different Radius Using the First Principle

2012 ◽  
Vol 472-475 ◽  
pp. 1465-1468 ◽  
Author(s):  
A Qing Chen ◽  
Qing Yi Shao ◽  
Li Wang
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Binding Energy ◽  
Hydrogen Storage ◽  
Hydrogen Absorption ◽  
Density Functional ◽  
Single Wall Carbon Nanotubes ◽  
First Principle ◽  
Functional Theory ◽  
Single Wall Carbon

The controllable hydrogen storage on single wall carbon is studied by using the first principle based on density functional theory (DFT). It concludes that the adsorption of hydrogen on the bare distorted single carbon nanotubes (SWNTs) can be enhanced dramatically when the single wall carbon nanotubes are rotated along the tubs axis and depend on radius of SWNTs. The binding energy decreases as the radius increase.

Estimation of the mechanical properties of nanocomposites based on the properties prediction of single wall carbon nanotubes (SWCNT)

2015 ◽  
Vol 57 (5) ◽  
pp. 447-457 ◽  
Author(s):  
Hassan S. Hedia ◽  
Saad M. Aldousari ◽  
Ahmed K. Abdellatif ◽  
Gamal S. Abdelhaffez
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon
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