Molecular dynamics simulations of simple aromatic compounds adsorption on single-walled carbon nanotubes

RSC Advances ◽  
2016 ◽  
Vol 6 (84) ◽  
pp. 80972-80980 ◽  
Author(s):  
Han Ding ◽  
Xin Shen ◽  
Chao Chen ◽  
Xiaojian Zhang
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Aromatic Compounds ◽  
Single Walled Carbon Nanotubes ◽  
Md Simulations ◽  
Single Walled Carbon ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

We have conducted MD simulations and RDG calculations to reveal the mechanisms of simple aromatic compounds adsorption on SWCNTs.

Molecular dynamics of carbon nanobearings

2009 ◽  
Vol 1204 ◽  
Author(s):  
K. Shintani ◽  
N. Arai ◽  
K. Shintani
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Graphene Layer ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Nanocarbon Materials ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

AbstractA concept of nanoscale bearing structures utilizing nanocarbon materials is presented based on the prediction via molecular dynamics simulations. The proposed mechanism consists of a graphene layer, intercalated single walled carbon nanotubes (SWNTs), and substrate graphenes. It is found that the friction against the movement of the uppermost graphene is smallest for the 1 SWNT model.

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