Binding energy of radial deformed single walled carbon nanotubes

Author(s):  
Yanting Shen ◽  
Dominic Zerulla
2005 ◽  
Vol 109 (33) ◽  
pp. 15671-15674 ◽  
Author(s):  
Ying-Zhong Ma ◽  
Leonas Valkunas ◽  
Sergei M. Bachilo ◽  
Graham R. Fleming

2009 ◽  
Vol 6 (s1) ◽  
pp. S147-S152 ◽  
Author(s):  
Navaratnarajah Kuganathan

The structure and binding energies of antimony selenide crystals encapsulated within single-walled carbon nanotubes are studied using density functional theory. Calculations were performed on the simulated Sb2Se3structure encapsulated within single walled nanotube to investigate the perturbations on the Sb2Se3crystal and tube structure and electronic structure and to estimate the binding energy. The calculated structures are in good agreement with the experimental high resolution transmission electron microscopy images of the Sb2Se3@SWNT. The calculated binding energy shows that larger diameter tube could accommodate the Sb2Se3crystals exothermically. Minimal charge transfer is observed between nanotube and the Sb2Se3crystals.


2013 ◽  
Vol 699 ◽  
pp. 194-199
Author(s):  
Ling Zhi Sun ◽  
Xu Zhang

Pristine and fluorinated multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes (SWCNTs) were characterized using energy dispersive X-ray spectra (EDX) and X-ray photoelectron spectroscopy (XPS), respectively. The fluorine percentages of fluorinated multi-walled carbon nanotubes (F-MWCNTs) and fluorinated single-walled carbon nanotubes (F-SWCNTs) were 10.42% and 9.67% respectively by EDX. The absorption and de-absorption of fluorine properties were studied using high resolution C 1s and F 1s core level XPS and valence band spectra. The fluorine can be completely dissociated from F-MWCNTs, but partially dissociated from SWCNTs. There was 5.79% fluorine in atomic percent remaining associated with the F-SWCNTs when annealing the nanotubes to 500 °C measured by EDX. The results of F 1s core level XPS indicated that the binding energy of fluorine associated on SWCNTs was shifted from 687.0 eV to 688.3 eV after annealing the nanotubes to 500 °C. The results of valence band spectra showed that the binding energy of F 2p and F 2s shifted from 7.5 eV and 31.0 eV to 8.8 eV and 32.5 eV respectively in SWCNTS. However, the two peaks disappeared in annealed MWCNTs.


2013 ◽  
Vol 51 (2) ◽  
pp. 137-144
Author(s):  
Naesung Lee ◽  
Jeung Choon Goak ◽  
Tae Yang Kim ◽  
Jongwan Jung ◽  
Young-Soo Seo ◽  
...  

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