Electronic Transport through DNA Nucleotides in BC3Nanogap for Rapid DNA Sequencing

Abstract

Recently, solid-state nanopores/nanogaps have generated a lot of interest in ultrafast DNA sequencing. However, challenges are slowing down the DNA translocation process from achieving a single-nucleobase resolution. A series of computational tools have been used in an attempt to study the DNA translocations in several model systems. The prospect of finding an efficient nanoelectrode for such human-genome sequencing might offer an entirely innovative way of preventive health care. Here, we have studied the performance of a boron-carbide (BC3)-based nanogap setup for DNA sequencing using density functional theory and non-equilibrium Green's function-based methods. The electric current variations under different applied bias voltages are found to be significant due to changes in the nucleotides' orientation and lateral position and can even outperform graphene. The computed relatively lower interaction energy for BC3 electrodes compared with graphene electrodes indicates that BC3 is a better nanoelectrode for DNA sequencing. From our results, we have found that the unique identification of all four nucleotides is possible in the 0.3-0.4 V bias region. Furthermore, each of the four nucleotides exhibits around one order of current difference, which makes it possible to identify all four nucleotides uniquely. Thus, we believe that BC3-based nanoelectrodes may be utilized toward the development of a practical nanodevice for DNA sequencing. Copyright © 2020 American Chemical Society.