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 CH 4 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 CH 4 molecule gets adsorbed suffer with higher adsorption energy to (12,0) BCNT surface than that of (5,0) BCNT surface.
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