Electronic property modification of single-walled carbon nanotubes by encapsulation of sulfur-terminated graphene nanoribbons.

Self-assembly of a sulphur-terminated graphene nanoribbon within a single-walled carbon nanotube.

The ability to tune the properties of graphene nanoribbons (GNRs) through modification of the nanoribbon's width and edge structure widens the potential applications of graphene in electronic devices. Although assembly of GNRs has been recently possible, current methods suffer from limited control of their atomic structure, or require the careful organization of precursors on atomically flat su...

Size, structure, and helical twist of graphene nanoribbons controlled by confinement in carbon nanotubes.

Carbon nanotubes (CNTs) act as efficient nanoreactors, templating the assembly of sulfur-terminated graphene nanoribbons (S-GNRs) with different sizes, structures, and conformations. Spontaneous formation of nanoribbons from small sulfur-containing molecules is efficiently triggered by heat treatment or by an 80 keV electron beam. S-GNRs form readily in CNTs with internal diameters between 1 an...

Thermal Conductivity Reduction Due to Isotope Substitution in Single-walled Carbon Nanotubes and Graphene Nanoribbons

Functionalization of the Single-walled Carbon Nanotubes by Sulfur Dioxide and Electric Field Effect, a Theoretical Study on the Mechanism

In this study, kinetics and mechanism of the sulfur dioxide adsorption on the single-walled carbon nanotubes (CNT) are investigated. Three single-walled carbon nanotubes, including the armchair (6,6), chiral (6,5) and zigzag (6,0) CNTs were chosen as the models and the different orientations of SO2 molecule relative to the CNT axis were considered. The B3LYP functional within the 6-3...

Energy dispersion in graphene and carbon nanotubes and molecular encapsulation in nanotubes

Density-functional calculations of electronic and vibrational dispersion energies for pristine graphite monolayer graphene and single-walled carbon nanotubes SWCNTs are presented. Optimized parameters for nonlocal norm-preserving pseudopotentials which replace the potential field due to core electrons are given. Comparison with observations, where available, is made. The effect of encapsulation...