A General Rule for Nanoelectronic Push–Pull Devices Based on Source-σ Bridge-Drain

In this paper we show that, beyond the particular models, utilizing an hybrid equilibrium/nonequilibrium methodologies it is possible to create a general model for organics push–pull nanoscale devices within σ bonds in the backbone. It is shown by direct quantum-mechanic calculations under external electric field and a nonequilibrium calculation based on the ballistic Landauer-Büttiker equation that I–V curves are comparable to the equilibrium charge distribution results. These related models were successfully applied to the alkanethiol derivatives presenting a bi-directional rectification response with two operational regions and a very low commutation lost, thus revealing important applications for communication technologies. These results could provide novel insights to the emerging and fast growth field of molecular electronics.