A Graphene Nanoribbon Electrode-Based Porphyrin Molecular Device for DNA Sequencing

We propose a DNA nucleobase sequencing device composed of zigzag graphene nanoribbon electrodes connected with a porphyrin molecule via carbon chains (GEPM). The connecting geometry between the nanoribbons with an even width number and the carbon chains is laterally symmetric to filter out electrons of specific modes. Various properties of the GEPM and of the GEPM + nucleobase systems, such as interaction energies, charge density differences, spin-differential electronic densities, and electric currents, are investigated using the density functional theory (DFT) combined with the non-equilibrium Green’s function (NEGF) method. The results show that the GEPM device holds promise for DNA sequencing with the measurement of the electric signals through it. The four nucleobases—adenine (A), cytosine (C), guanine (G), and thymine (T)—can be efficiently distinguished based on the conductance and current sensitivity when they are located on the porphyrin molecule of the GEPM device. The symmetry of the connecting geometry between the carbon chains and the nanoribbons selects Bloch states with specific symmetry to pass through the device and results in broad transmission valleys or gaps. In addition, the edge magnetism of graphene nanoribbons can further manipulate the transmission and then the sequencing effects. The device exhibits extremely high conductance sensitivity in the parallel magnetic configuration. This study explores the possible advantage of this technology compared with conventional nanopore sequencing devices and potentially expands the variety of available sequencing structures.