M-polynomials and topological indices of titania nanotubes

Abstract

Titania is one of the most comprehensively studied nanostructures due to their widespread applications in the production of catalytic, gas sensing, and corrosion-resistant materials. M-polynomial of nanotubes has been vastly investigated, as it produces many degree-based topological indices, which are numerical parameters capturing structural and chemical properties. These indices are used in the development of quantitative structure-activity relationships (QSARs) in which the biological activity and other properties of molecules, such as boiling point, stability, strain energy, etc., are correlated with their structure. In this report, we provide M-polynomials of single-walled titania (SW TiO2) nanotubes and recover important topological degree-based indices to theoretically judge these nanotubes. We also plot surfaces associated to single-walled titania (SW TiO2) nanotubes.