A Computational Study of Physical Properties of the Smallest Fullerene, C20 Nanoparticle

No Thumbnail Available
File version
Author(s)
Khataee, HR
Liew, AWC
Zhong, Y
Hanifehpour, Y
Joo, SW
Griffith University Author(s)
Primary Supervisor
Other Supervisors
Editor(s)
Date
2013
Size
File type(s)
Location
License
Abstract

Computational nanotechnology provides theoretical understanding of complex nanoparticles properties and may enlighten their potential applications. In this paper, we use graph algorithms based on the dynamic programming to develop a software system which computes a set of optimal physical properties of the C20 nanoparticle. The computational results of our developed software system have not been reported previously. C20 nanoparticle is the smallest and simplest fullerene composed of twenty equivalent carbon atoms arranged in a cage structural form. The twenty carbon atoms of C20 nanoparticle are also arranged in two other major structures: bowl and ring. The study considers all three major structures of C20 nanoparticle and computes their physical indices including Wiener, hyper-Wiener, Harary and reciprocal Wiener. The Hosoya and hyper-Hosoya polynomials of the cage, bowl and ring structures of C20 nanoparticle have been also computed. The accuracy of the computational results was proved with the mathematical equations between the indices and polynomials. Our computational results also showed good agreement with the physical properties of the cage, bowl and ring structures of C20 nanoparticle.

Journal Title
Journal of Computational and Theoretical Nanoscience
Conference Title
Book Title
Edition
Volume
10
Issue
9
Thesis Type
Degree Program
School
Publisher link
Patent number
Funder(s)
Grant identifier(s)
Rights Statement
Rights Statement
Item Access Status
Note
Access the data
Related item(s)
Subject
Theory of computation not elsewhere classified
Mechanical engineering
Nanotechnology
Persistent link to this record
Citation
Collections