Influence of intermolecular interactions on the properties of carbon nanotubes

Abstract

This study is aiming at theoretical and experimental confirmations of the deposition of oligothiophene dyes (OT) on structurally and chemically diverse surfaces of carbon materials, especially carbon nanotubes (CNTs). This study is a contribution to the wide search and design of novel hybrid materials for light-sensitive (dye solar cells) and light-emitting (LEDs) structures. The obtained materials containing OTs embedded in the pores of a carbon matrix were analysed by means of microscopic and spectroscopic techniques as well as low-temperature adsorption of nitrogen, together with an investigation of the surface area by the BET method. Confocal microscopy was employed to confirm the immobilization of oligomers on the surface of CNTs. Raman spectra, XRD and HTEM microscopies allowed to judge the quality of the carbonaceous material and to compare the test material before and after the introduction of OT. Additionally, the elemental content and elemental surface species were determined by means of XPS and combustion elemental analyses. The explanation of thiophene; 2,2 $$^\prime $$ :5 $$^\prime $$ ,2 $${^{\prime \prime }}$$ -terthiophene and $$\alpha $$ -sexithiophene molecular interactions with single wall armchair CNTs was supported by theoretical calculations. In computational investigations, CNTs were modelled by tubules of different sizes, lengths and hydrogenated open ends.