Interaction of Boron-Nitrogen Substitued Graphene Nanoribbon with Nucleobases: The Idea of Biosensor

In this paper we have designed a biosensor device built from B-N substituted graphene nanoribbon within density functional based tight-binding (DFTB) framework. We have investigated the interaction of the nucleobases adenine (A), Guanine (G), Cytosine (C) and Thymine (T) with device. Our calculation suggests that all the nucleobases have different interaction strength when they interact with device and shows that guanine has stronger interaction with device than other nucleobases. It reveals that the absorption energy shows the hierarchy: G > C > T > A. Our results also demonstrate the transport properties of the device and how the transport properties change due to the absorption of nucleobases on the device.