Noble gas encapsulation into carbon nanotubes: Predictions from analytical model and DFT studies

2014 ◽  
Vol 141 (18) ◽  
pp. 184304 ◽  
Author(s):  
Sree Ganesh Balasubramani ◽  
Devendra Singh ◽  
R. S. Swathi
Keyword(s):  
Carbon Nanotubes ◽  
Analytical Model ◽  
Noble Gas ◽  
Dft Studies ◽  
Gas Encapsulation

scholarly journals Experimental and DFT studies of carbon nanotubes covalently functionalized with an imidazole derivative for electrochemical stability and green corrosion inhibition as a barrier layer on the nickel alloy surface in a sulphuric acidic medium

RSC Advances ◽  
2019 ◽  
Vol 9 (66) ◽  
pp. 38677-38686
Author(s):  
Palaniappan N. ◽  
I. S. Cole ◽  
A. E. Kuznetsov ◽  
K. R. Justin Thomas
Keyword(s):  
Carbon Nanotubes ◽  
Nickel Alloy ◽  
Electrostatic Interaction ◽  
Barrier Layer ◽  
Carbon Material ◽  
Acidic Medium ◽  
Electrochemical Stability ◽  
Alloy Surface ◽  
Nickel Surface ◽  
Dft Studies

(A) The electrostatic interaction of a functionalized carbon material with a 111 nickel surface, (B) the OPT structure of 4,5-DPM + CNT, and (C) 4,5-DPIM + CNT material chemisorbed on a 111 nickel alloy surface.

DFT studies of OH-functionalized open-ended zigzag, armchair, and chiral single wall carbon nanotubes

2011 ◽  
Vol 208 (8) ◽  
pp. 1774-1777 ◽  
Author(s):  
E. Chełmecka ◽  
K. Pasterny ◽  
T. Kupka ◽  
L. Stobiński
Keyword(s):  
Carbon Nanotubes ◽  
Single Wall Carbon Nanotubes ◽  
Dft Studies ◽  
Single Wall Carbon

scholarly journals Erratum: DFT Studies of Ag-Loading Intrinsic and Functionalized Single-Walled Carbon Nanotubes

2012 ◽  
Vol 30 (5) ◽  
pp. 1192-1192
Author(s):  
Zhuxia Zhang ◽  
Yaxian Hao ◽  
Liping Wang ◽  
Minghui Dong ◽  
Wensheng Hou ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Walled Carbon Nanotubes ◽  
Dft Studies ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

A swarm intelligence modeling approach reveals noble gas cluster configurations confined within carbon nanotubes

2020 ◽  
Vol 22 (36) ◽  
pp. 20693-20703 ◽  
Author(s):  
Cheriyacheruvakkara Owais ◽  
Chris John ◽  
Rotti Srinivasamurthy Swathi
Keyword(s):  
Carbon Nanotubes ◽  
Swarm Intelligence ◽  
Noble Gas ◽  
Continuum Approximation ◽  
Confinement Effects ◽  
Modeling Approach ◽  
Intelligence Modeling ◽  
Gas Clusters ◽  
The Continuum

A swarm intelligence modeling approach together with the continuum approximation for carbon nanotubes unravels confinement effects for noble gas clusters.

A cytosine-assisted carbon nanotubes junction: DFT studies

2012 ◽  
Vol 52 (2) ◽  
pp. 158-164 ◽  
Author(s):  
Mahmoud Mirzaei ◽  
Masoumeh Meskinfam ◽  
Mohammad Yousefi
Keyword(s):  
Carbon Nanotubes ◽  
Dft Studies

Simultaneous adsorption of Cd2+ and phenol on modified N-doped carbon nanotubes: Experimental and DFT studies

2009 ◽  
Vol 334 (2) ◽  
pp. 124-131 ◽  
Author(s):  
Paola E. Diaz-Flores ◽  
Florentino López-Urı´as ◽  
Mauricio Terrones ◽  
J. Rene Rangel-Mendez
Keyword(s):  
Carbon Nanotubes ◽  
Dft Studies ◽  
Simultaneous Adsorption
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