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

Abstract

In this paper we have designed a biosensor device built from B-N substituted graphene nanoribbon within density func-tional 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 differ-ent 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 demon-strate the transport properties of the device and how the transport properties change due to the absorption of nucleo-bases on the device.