First Principle Insight of Methane Adsorption Through Single Walled Carbon Nanotube

2015 ◽  
Vol 21 (9) ◽  
pp. 2884-2886 ◽  
Author(s):  
Reena Srivastava ◽  
Sadhana Shrivastava ◽  
Uma Shankar Sharma ◽  
Anurag Srivastava
Keyword(s):  
Carbon Nanotube ◽  
Methane Adsorption ◽  
First Principle ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

Computational Simulation of Methane Adsorption in Single-Walled Carbon Nanotube

2011 ◽  
Vol 63-64 ◽  
pp. 983-986
Author(s):  
Ke Rong He ◽  
Zhi Chu Lu
Keyword(s):  
Carbon Nanotube ◽  
Canonical Ensemble ◽  
Computational Simulation ◽  
Methane Adsorption ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Ensemble Monte Carlo ◽  
Lennard Jones ◽  
Fluid Interaction ◽  
Grand Canonical

In this paper, methane adsorption in single-walled carbon nanotube (SWNT) has been simulated by using the grand canonical ensemble Monte Carlo (GCMC) method. Lennard-Jones (LJ) potential is used to represent the fluid-fluid interaction, and integral method is used to calculation of the potential between fluid molecules and carbon atoms. In the simulation, adsorption isotherms of methane in the (15, 15), (20, 20), (25, 25) and (30, 30) SWNT are simulated.

scholarly journals First Principle-Based Analysis of Single-Walled Carbon Nanotube and Silicon Nanowire Junctionless Transistors

2013 ◽  
Vol 12 (6) ◽  
pp. 1075-1081 ◽  
Author(s):  
Lida Ansari ◽  
Baruch Feldman ◽  
Giorgos Fagas ◽  
Carlos Martinez Lacambra ◽  
Michael G. Haverty ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Silicon Nanowire ◽  
First Principle ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Junctionless Transistors
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