Binding Energy of Oxygen and Methane Adsorbed on Bundles of Open-ended Single-wall Carbon Nanotubes

2013 ◽  
Vol 63 (1) ◽  
pp. 88-92
Author(s):  
Ju-Yeon SEO ◽  
Dae-Hwang YOO ◽  
Gi-Hong RUE ◽  
Jin-Sung KWACK ◽  
Yoon-Hwae HWANG* ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Binding Energy ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon

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.

EXCITONS IN SINGLE-WALL CARBON NANOTUBES

2003 ◽  
Vol 02 (06) ◽  
pp. 521-526 ◽  
Author(s):  
K. A. BULASHEVICH ◽  
R. A. SURIS ◽  
S. V. ROTKIN
Keyword(s):  
Carbon Nanotubes ◽  
Binding Energy ◽  
Dielectric Function ◽  
Energy Gap ◽  
Random Phase ◽  
Tight Binding ◽  
Exciton Binding Energy ◽  
Single Wall Carbon Nanotubes ◽  
Tight Binding Approximation ◽  
Single Wall Carbon

Excitonic states in single-wall carbon nanotubes have been studied within the tight-binding approximation. An analytical expression for the dielectric function of the nanotube has been obtained in the random phase approximation. It was demonstrated that calculations with the static dielectric function yield an overestimated exciton binding energy exceeding the nanotube energy gap. Self-consistent calculation of the exciton binding energy with the frequency-dependent dielectric function has been performed. The binding energy to energy gap ratio has been shown to have no dependence on the nanotube radius and to be a universal constant ~0.87 for given resonance integral γ0=2.7 eV .

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

Confining H2 and D2 by adsorption in microporous carbons (single-wall carbon nanotubes and activated carbons) doped by K or Li

2005 ◽  
Vol 30 (4) ◽  
pp. 393-400 ◽  
Author(s):  
Szymon Los ◽  
Philippe Azais ◽  
Roland JM Pellenq ◽  
Yannick Breton ◽  
Olivier Isnard ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Activated Carbons ◽  
Single Wall Carbon Nanotubes ◽  
Single Wall Carbon ◽  
Microporous Carbons
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