Title :
Comparative study of methane(CH4) adsorption on (12,0) and (5,5) bamboo like carbon nano tubes (BCNT)
Author :
Rastogi, Jitendra ; Tripathi, Shweta
Author_Institution :
Dept. of Electron. & Commun. Eng., Motilal Nehru Nat. Inst. of Technol., Allahabad, India
Abstract :
In the present work, an in-depth study of methane adsorption on bamboo-like carbon nanotubes (BCNTs) has been accomplished. The structures of (12,0) and (5,5) BCNTs have been designed and optimized using Quantumwise Atomistix Toolkit software package. The main reason behind employing BCNTs is their unique geometry i.e. the presence of hollow compartments due to which more number of CH4 molecules get adsorbed. The methane molecule adsorption on the various sites of BCNTs have been considered in order to observe and compare the modified structural and electronic properties of the two BCNTs. The comparative analysis depicts that CH4 molecule gets adsorbed suffer with higher adsorption energy to (12,0) BCNT surface than that of (5,0) BCNT surface.
Keywords :
adsorption; carbon nanotubes; gas sensors; nanosensors; organic compounds; (12,0) BCNT surface; (5,0) BCNT surface; Quantumwise Atomistix Toolkit software package; bamboo-like carbon nanotube; hollow compartments; methane molecule adsorption; Adsorption; Carbon; Carbon nanotubes; Electron tubes; Geometry; Global warming; Neutron capture therapy; adsorption; bamboo-like carbon nanotubes (BCNTs); sensor; single walled carbon nanotubes (SWCNTs);
Conference_Titel :
Power, Control and Embedded Systems (ICPCES), 2014 International Conference on
Print_ISBN :
978-1-4799-5910-5
DOI :
10.1109/ICPCES.2014.7062816
