Symmetry-based invariants of nanostructures and their effect on edge states of carbon nanotubes

Abstract

The Graovac–Pisanski index is a symmetry-based version of the well-known Wiener topological index. The aim of this paper is to compute this invariant for both armchair and zig-zag polyhex carbon nanotubes marking important theoretical considerations on their relative stability and the effects of the edge states. We also compare the Graovac–Pisanski and Wiener descriptors and present some open questions.

Keywords:

• Graovac–Pisanski index
• armchair nanotube
• zig-zag nanotube

Additional information

Funding

The research of the first and third authors are partially supported by the University of Kashan under grant no 785149/17.