Computational Modelling of Carbon Nanocapsule with Nanotube and Fullerene C60

Authors: Sanjith S, Ramesh Kumar P and Gopukumar ST*

DOI: 10.23880/nnoa-16000191

Volume 5, Issue 3

Abstract

This work intends to develop procedures for the design of carbon nanocapsule with nanotube and fullerene C60. The simulations take place to show the basic and functional structures of carbon allotropes and its uses. The aim of the investigation is computational modelling of nanocapsule with the nanotube and fullerene C60. The nanocapsule consists of locking chamber and storage area. The computational modelling has done by Atomistix Virtual NanoLab. The step by step procedure is explained and executed. The result revealed that capping of carbon nanotube and carbon nanocapsule are simulated in an effective computational manner using Atomistix Virtual NanoLab.

Keywords: Atomistix Virtual NanoLab; C60; Nanotube; Nanocapsule; Simulation

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