To envisage charge transport attributes of doped Porphine devices

Abstract

In this paper, we analyze the behavior of porphine molecule doped with four atoms of transition metals viz. Boron, Nitrogen and Phosphorus sandwiched in-between the gold electrodes. The extended Hückel theory in conjunction with non-equilibrium Green’s function is employed to calculate the ballistic performance of the three molecular devices. We scrutinize density of states, transmission spectrum, current curve and conductance curve to contemplate the behavior of doped molecular junctions. The results are compared for the superiority of junction devices thus formed. The investigation reveals the formation of Coulomb steps at different voltage points with maximum conductance in Au–C16H14N4P4–Au molecular junction.