Simulation of Carbon Nanotubes Using CNT Band Based on Extended Huckel Theory and Number of Pz Orbital theory to predict its density of state

Abstract

Aim: The aim of this research work is to simulate a carbon nanotube (CNT Band Tool) to predict its density of state by comparing the band gap using Pz orbital theory and extended huckel theory from 4nm to 22nm.
Materials and Methods: The data for this study was collected using nanohub.org, Samples were considered as (N=20) for extended huckel theory and (N=20) for number of Pz orbital theory according to clinical.com by keeping alpha error-threshold by 0.05, enrollment ratio as 0:1, 95% confidence interval, power at 80% in the NanoHub tool simulation environment. The comparison of Pz orbital theory and Extended Huckel theory is done by independent sample t-test SPSS software. The CNT length was studied from 4 to 22nm in the NanoHub tool simulation environment.
Result: Comparison of data is done by independent sample test using SPSS software. There is a statistical significant difference between Extended Huckel theory and the number of Pz Orbital theory. Extended Huckel theory (77.4%) showed better results in
comparison to Pz orbital theory (51.6%). Here the p value was predicted to be insignificant (p=0.423, p>0.05).
Conclusion: The Extended huckel theory based on carbon nanotubes showed the best conductivity compared to Pz orbital theory
to predict its density of state using a novel CNT band tool.