▎ 摘　　要

We present a comprehensive theoretical study based on density functional theory for stability, electronic and transport properties of armchair graphene nanoribbons. We have tested boron, beryllium, lithium, magnesium, fluorine, oxygen and nitrogen as substitutional dopant in the center of armchair graphene nanoribbons. It is observed that oxygen atom as substitutional dopant in armchair graphene nanoribbons is energetically more favorable and it also minimizes the band gap in all tested widths of armchair graphene nanoribbons (AGNRs). Moreover the oxygen doping at the center of ribbon predicts the half-metallicty in AGNRs. The transport properties are found to be influenced by edge doping of oxygen in AGNRs. These substituional oxygen atoms act as scattering centers for the electronic transport along the nanoribbons. Since transmission is sensitive to O doping, so our results point towards the relative suitability of O doped armchair edge for sensor applications.