Abstract

Zeynab Nourimajd

DOI : http://dx.doi.org/10.13005/ojc/320223

In this work we have simulated our system based on the various distribution diameters of SWCNTs, SWBNNTs and DWCNTs in three forms of zigzag, armchair and chiral. We have start for answering to some question about the mechanical, electronical and thermochemical properties of the diameter distribution on the various nanotubes, band gape, and potential difference between two layers of a nano cylindrical and finally the radial charge distribution of those systems. It is found that the energy gaps and the energy of those SWBNNTs are strongly dependent on their Chirality and diameters. The  energy gap of the formed double-walled (DW-C&BN-NTs )can even be much reduced due to the coupled effect of  wall buckling difference and inter-wall π-π* hybridization.

SWCNTs; SWBNNTs; Zig-Zag; Chiral and Armchair

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