Double Walled Carbon Nanotube Simulator to Achieve Higher Accuracy in Finding Optical and Electrical Properties of the Tubes

Abstract

Many Software have been made to predict the optical transition energy of Single Walled Carbon Nanotube. Predicting the Radial Breathing Mode frequency for Double Walled Carbon Nanotube has been really tough due to inter tube interaction. Experimental values show clear indication that these frequencies and Transition energies depends heavily on inter tube interaction and chirality of the Nanotube. All the previous software to predict any kinds of Band structure of CNT failed to take this effects into account. Moreover most of them gives fairly accurate value for Single Walled Carbon Nanotube. Here for the first time a software was built to predict different kinds of Parameter for Double Walled Carbon Nanotube. This software can be significant in simulating Resonant Raman Spectroscopy for DWNT. The equations used to predict the Band Structure of DWNT in this software is also the most accurate one till date