Effect of nitrogen doping and hydrogen confinement on the electronic properties of a single walled carbon nanotube

Abstract

This paper addresses the effect of dopants on the electronic properties of zigzag (8, 0) semiconducting single walled carbon nanotubes (SWCNTs), using extended Hückel theory combined with nonequilibrium Green's function formalism. Through appropriate dopant concentrations, the electronic properties of SWCNTs can be modified. Within this context, we present our ongoing investigation on (8, 0) SWCNTs doped with nitrogen. Quantum confinement effects on the electronic properties of the SWCNTs have also been investigated. The obtained results reveal that the electronic properties of SWCNTs are strongly dependent on the dopant concentration and modification of electronic structures by hydrogen confinement.

Cobalt‐Based Active Species Molecularly Immobilized on Carbon Nanotubes for the Oxygen Reduction Reaction

“…MWCNT strands have been used frequently as catalyst supports, as the 1 D sp 2 carbon structure of MWCNTs can provide excellent pathways for electron transfer during electrochemical reactions . N‐doped sites were generated at the surfaces of the MWCNTs to exploit the following advantages: (1) the N sites in the MWCNT can coordinate to transition‐metal‐based active species and (2) the introduction of N‐dopants into the sp 2 carbon network often enhances the electrocatalytic performance.…”