First-principles calculations are employed in the study of the electronic and quantum transport properties of hexagonally shaped oron nitride (h-BN) clusters embedded in either zigzag or armchair graphene nanoribbons. Chemical doping of the h-BN cluster was taken nto consideration by using carbon atoms to replace either the boron (B24N27C3) or the nitrogen (B27N24C3) sites in the central ring. hile the quantum conductance of the system with zigzag edges is found to be spin-dependent, it was observed that the system with an rmchair edge requires an electron imbalance in order to show a spin-dependent conductance. Furthermore, the possibility of molecular dsorption onto these doped systems is studied. The effects of the attached molecules to the quantum conductance shows the potential of hese hybrid systems for molecular sensing applications.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Mechanics of Materials
- Mechanical Engineering
- Electrical and Electronic Engineering