Theoretical studies on structures, 13C NMR chemical shifts, aromaticity, and chemical reactivity of finite-length open-ended armchair single-walled carbon nanotubes

Nanoscale ◽  
2010 ◽  
Vol 2 (2) ◽  
pp. 254-261 ◽  
Author(s):  
Lei Vincent Liu ◽  
Wei Quan Tian ◽  
Ya Kun Chen ◽  
Yu Adam Zhang ◽  
Yan Alexander Wang
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.


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