Tight-binding investigation of the structural and vibrational properties of graphene-single wall carbon nanotube junctions.

ABSTRACT: Hybrid carbon nanostructures based on single walled carbon nanotubes (SWNTs) and single layer graphene (SLG) have drawn much attention lately for their applications in a range of efficient hybrid devices. A few recent studies, addressing the interaction behavior at the heterojunction, considered charge transfer between the constituents (SWNTs and SLG) to be responsible for changes in the electronic and vibrational properties of their hybrid system. We report the effect of various factors, arising due to the interactions between the atoms of SWNTs and SLG, on the structural and vibrational properties of hybrid nanostructures investigated computationally within the framework of tight-binding DFT. These factors, such as the van der Waals (vdW) forces, structural deformation and charge transfe

SUBMITTER: Srivastava J 

PROVIDER: S-EPMC9418026 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature