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

fYear

2014

Firstpage

1

Lastpage

4

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);

fLanguage

English

Publisher

ieee

Conference_Titel

Power, Control and Embedded Systems (ICPCES), 2014 International Conference on

Print_ISBN

978-1-4799-5910-5

Type

conf

DOI

10.1109/ICPCES.2014.7062816

Filename

7062816