Araujo, Jose Weliton de Oliveira; Moura-Moreira, Mayra; Del Nero, Jordan published the artcile< Electronic transport via DTF-NEGF at bipyridine junctions with 1D organic electrodes>, Name: 2,4-Bipyridine, the main research area is bipyridine junction electronic transport electrode field effect transistor.
In this work, we study the properties of electronic transport in mol. junctions formed by bipyridine isomers as central region coupled at electrodes of carbyne wires. Through calculations of first principles, based on D. Functional Theory (DFT), combined with Non-Equilibrium Green′s Functions (NEGF), we obtain important properties such as elec. current, differential conductance, transmission, and eigenchannels. The results showed that the presence of nitrogen atoms in the mol.-electrode interface strongly affects the coupling of the junction, providing better electronic conduction; this is corroborated by the transmission eigenchannels. The transport properties analyzed revealed that in bipyridine bridges, devices with carbyne electrodes, presented better performance when compared to other works that used metallic electrodes (Au, Ag, and Cu) or graphene nanoribbons electrodes. The devices proposed showed a Field Effect Transistor (FET) behavior when are formed by sym. isomers, whereas for asym. systems we obtained characteristics of Mol. Diode (MD).
Physica E: Low-Dimensional Systems & Nanostructures (Amsterdam, Netherlands) published new progress about Bias potential. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,4-Bipyridine.