Some physico-chemical characteristics of carbon nanotubes: A computational aspect

Abstract

Topological descriptors are the numerical indices based on the topology of the atoms and their bonds (chemical conformation, quaternary structure). Valency/degree based topological descriptors are of vital importance due to their specific chemical significance. They correlate certain physico-chemical properties like boiling point, stability, enthalpy of vaporization, Kovat’s constant etc. of chemical compounds especially carbon-containing structures. Carbon nanotubes, a type of fullerene, have potential in fields such as nanotechnology, electronics, optics, materials science and architecture. Carbon nanosheets are 2-dimensional lattices of carbon nanotubes. To compute and study topological descriptors of nanostructures is a respected problem in nanotechnology. Graph theory has found significant use in this field of research. In this paper, valency based topological descriptors of various nanosheets are strong-minded. We quote an important observation at the end of this article.

Publication
Journal of Computational and Theoretical Nanoscience