scholarly journals Measuring the Stability of Supramolecular Complexes in the Proximity of Single‐Walled Carbon Nanotubes

ChemistryOpen ◽  
2020 ◽  
Vol 9 (7) ◽  
pp. 728-728
Author(s):  
Teresa Naranjo ◽  
Julia Villalva ◽  
Emilio M. Pérez
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Supramolecular Complexes ◽  
Single Walled Carbon ◽  
The Stability ◽  
Walled Carbon Nanotubes

scholarly journals Encapsulation and Adsorption of Halogens into Single-Walled Carbon Nanotubes

Micro ◽  
2021 ◽  
Vol 1 (1) ◽  
pp. 140-150
Author(s):  
Navaratnarajah Kuganathan ◽  
Sashikesh Ganeshalingam
Keyword(s):  
Carbon Nanotubes ◽  
Charge Transfer ◽  
Density Functional ◽  
Diatomic Molecules ◽  
Single Walled Carbon Nanotubes ◽  
Charge Transfer Complexes ◽  
Functional Theory ◽  
Single Walled Carbon ◽  
The Stability ◽  
Walled Carbon Nanotubes

Functionalisation of single-walled carbon nanotubes (SWNTs) with atoms and molecules has the potential to prepare charge–transfer complexes for numerous applications. Here, we used density functional theory with dispersion correction (DFT + D) to examine the encapsulation and adsorption efficacy of single-walled carbon nanotubes to trap halogens. Our calculations show that encapsulation is exoergic with respect to gas-phase atoms. The stability of atoms inside SWNTs is revealed by the charge transfer between nanotubes and halogens. Encapsulation of halogens in the form of diatomic molecules is favourable with respect to both atoms and diatomic molecules as reference states. The adsorption of halogens on the outer surfaces of SWNTs is also exothermic. In all cases, the degree of encapsulation, adsorption, and charge transfer is reflected by the electronegativity of halogens.

On the stability of single-walled carbon nanotubes and their binding strengths

2012 ◽  
Vol 131 (9) ◽  
Author(s):  
Jakub D. Baran ◽  
Wojciech Kołodziejczyk ◽  
Peter Larsson ◽  
Rajeev Ahuja ◽  
J. Andreas Larsson
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
The Stability ◽  
Walled Carbon Nanotubes

scholarly journals On the Stability and Abundance of Single Walled Carbon Nanotubes

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Daniel Hedman ◽  
Hamid Reza Barzegar ◽  
Arne Rosén ◽  
Thomas Wågberg ◽  
J. Andreas Larsson
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
The Stability ◽  
Walled Carbon Nanotubes
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