Extended Topological Line Defects in Graphene for Individual Identification of DNA Nucleobases
ABSTRACT: Recently synthesized topological line defects in graphene containing octagonal, and a pair of pentagonals open up new research directions for nano-scale sized electronic device applications. In this study, using the consistent-exchange van der Waals density functional (vdW-DF-cx) calculations, we have investigated the extended line defects (ELDs) based graphene nano-device for individual identification of all four DNA nucleobases. The electronic transport properties of the ELDs in graphene and the conductance caused by adsorption of all four nucleobases on the ELDs in graphene have been investigated to understand its capability for individual identification of all four DNA nucleobases by using the non-equilibrium Green’s function (NEGF) method. Our results show that the π-π interaction is very much responsible for the Fano resonance characteristics, and such ELDs graphene-based nano-device may detect the four nucleobases better than the graphene-based (without line defects) nano-device. Also, the result of the I-V characteristic indicates that a specific voltage window is required for individual identification of all four nucleobases. Thus, we believe that the one-dimensional ELDs graphene-based nano-device can be promising for DNA sequencing.