The electronic and transport properties of defective bilayer graphene nanoribbon

This paper reports the atomistic simulation of AA and AB stacking bilayer graphene nanoribbon (BGNR) incorporated vacancy defect. The vacancy defects include single vacancy (SV), stone wales (SW), divacancy (DV) and 57775 located in BGNR layers. Through simulation, it is demonstrated the SW defect less affected the bandgap in BGNR. In addition, the one dimensional signature of the transmission spectrum (TS) and density of state (DOS) vanished. Importantly, the result obtained shows that the vacancy defects that are located in either layer 1 (L1) or both layer 1 and layer 2 (L1 + L2) behave differently on the current–voltage (I–V) characteristic for both AA and AB stackings BGNR devices depending on the types of defect. The use of defect enables the modification of BGNR electronic and transport properties

Current conduction in dual channel black phosphorene nanoribbon transistor

Phosphorene continues to fascinate research community due to its excellent physical and electrical properties. In this paper, the feasibility study of using dual conducting channel in black phosphorene nanoribbon transistor is investigated using Atomistic simulation tool. Both electronic and transport properties are evaluated. Through simulation, it is demonstrated that the conduction behavior behave differently where the current exhibit a great deal of increment when using dual channel. The performance was superior compared to single channel and suggests that the number of conducting channel is a significant factor in improving device behavior

Adsorption site of gas molecules on defective armchair graphene nanoribbon formed through ion bombardment

High sensitivity and selectivity is desired in sensing devices. The aim of this study is to investigate the use of the ion bombardment process in creating a defect on graphene nanoribbons (GNR), which significantly affects sensing properties, in particular adsorption energy, charge transfer and sensitivity. A process has been developed to form the defect on the GNR surface using molecular dynamic (MD) with a reactive force field with nitrogen ion. The sensing properties were calculated using the extended Huckel theory when oxygen (O2) and ammonia (NH3) molecules are exposed to different areas on the defective site. Through simulation, it was found that the ion bombardment process formed various types of defects on the GNR surface. Most notably, molecules adsorbed on the ripple area considerably improve the sensitivity by more than 50%. This indicates that the defect on the armchair graphene nanoribbon (AGNR) surface can be a method to enhance graphene-based sensing performance

Warping armchair graphene nanoribbon curvature effect on sensing properties: A computational study

The aim of this paper is to investigate the interaction between gas molecules and warped armchair graphene nanoribbons (AGNRs) using Extended-Huckel Theory. There are two types of warping known as inward and upward. The sensing properties including binding energy, charge transfer and sensitivity were examined for both warped AGNR cases for 3m+1 configuration and were compared with previous work. Through simulation, it was found that a substantial increase in binding energy by more than 50% was achieved when warped at a higher angle. It is also showed that there was a significant difference in sensitivity for both warping cases when reacting with O2 and NH3 molecules. Interestingly, the ability of the inward warped in sensing O2 and NH3 considerably increases upon warping angle. By applying back gate bias, this shows that current conductivity of the inward warped is twice as high as the upward warped AGNR