Identifying DNA Nucleotides via Transverse Electronic Transport in Atomically Thin Topologically Defected Graphene...

Extended line defects in graphene (ELDG) sheets have been found to be promising for biomolecule sensing applications. By means of the consistent-exchange van der Waals density-functional (vdW-DF-cx) method, the electronic, structural, and quantum transport properties of the ELDG nanogap setup has been studied when a DNA nucleotide molecule is positioned inside the nanogap electrodes. The interaction energy (E_i) values indicate charge transfer interaction between the nucleotide molecule and electrode edges. The charge density difference plots reveal that charge fluctuates around the ELDG nanogap edges adjacent to the nucleotides. This charge redistribution grounds the modulation of electronic charge transport in the ELDG nanogap device. Further, we study the electronic transverse-conductance and tunnelling current-voltage (I-V) characteristics across two closely spaced ELDG nanogap electrodes using the density functional theory and the nonequilibrium Green's function methods when a DNA nucleotide is translocated through the nanogap. Our outcomes indicate that the ELDG nano gap device could allow sequencing of DNA nucleotides with a robust and consistent yield, giving the tunneling electric current signals that vary by more than 1 order of magnitude electric current (I) for the different DNA nucleotides. So, we predict that the ELDG nanogap-based tunneling device can be suitable for sequencing DNA nucleobases.