Tuning of electronic properties of edge oxidized armchair graphene nanoribbon by the variation of oxygen amounts and positions

In this work, judicious optimization of electronic properties of edge oxidized armchair graphene nanoribbon (AGNR) was achieved by concomitant tuning of amounts and positions of oxygen. Two types of O-AGNR structures were considered. In one, the oxygen positions were considered in the basal plane while the oxygen in the perpendicular plane was considered in the other. Simulation results, employing Atomistix ToolKit (v.2015.1), revealed that the first configuration offered almost metallic transport kinetics with variations in the linearity of current-voltage characteristics depending upon the amounts and positions of the oxygen. To the contrary, the later configuration offered both semiconducting and conducting nature for the similar variations. It was found that, for a particular amount of oxygen, the position played the pivotal role in determining the resultant transport properties for both the structures.