Theoretical study of chemisorption of hydrogen atoms on the sidewalls of armchair single-walled carbon nanotubes with Stone–Wales defect

2012 ◽  
Vol 999 ◽  
pp. 121-125 ◽  
Author(s):  
Ai-Dong Zhang ◽  
Dong-Lai Wang ◽  
Dong-Yan Hou
2004 ◽  
Vol 116 (12) ◽  
pp. 1578-1580 ◽  
Author(s):  
Zhongfang Chen ◽  
Shigeru Nagase ◽  
Andreas Hirsch ◽  
Robert C Haddon ◽  
Walter Thiel ◽  
...  

2011 ◽  
Vol 03 ◽  
pp. 555-563 ◽  
Author(s):  
YU. V. CHURKIN ◽  
A. B. FEDORTSOV ◽  
G. L. KLIMCHITSKAYA ◽  
V. A. YUROVA

We calculate the interaction energy and force between atoms and molecules and single-walled carbon nanotubes described by the Dirac model of graphene. For this purpose the Lifshitz-type formulas adapted for the case of cylindrical geometry with the help of the proximity force approximation are used. The results obtained are compared with those derived from the hydrodymanic model of graphene. Numerical computations are performed for hydrogen atoms and molecules. It is shown that the Dirac model leads to larger values of the van der Waals force than the hydrodynamic model. For a hydrogen molecule the interaction energy and force computed using both models are larger than for a hydrogen atom.


2017 ◽  
Vol 19 (10) ◽  
pp. 7215-7227 ◽  
Author(s):  
J. Molina-Duarte ◽  
L. I. Espinosa-Vega ◽  
A. G. Rodríguez ◽  
R. A. Guirado-López

We present a combined experimental and theoretical study dedicated to analyzing the structural stability and chemical reactivity of single walled carbon nanotubes (SWCNTs) in the presence of air and nitrogen atmospheres in the temperature interval of 300–1000 K.


2011 ◽  
Vol 19 (16) ◽  
pp. 15077 ◽  
Author(s):  
Barmak Heshmat ◽  
Hamid Pahlevaninezhad ◽  
Matthew Craig Beard ◽  
Chris Papadopoulos ◽  
Thomas Edward Darcie

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