Design and simulation of molecular single-electron resistive switches

We have carried out a preliminary design and simulation of a single-electron resistive switch based on a system of two parallel, electrostatically-coupled molecules: one implementing a single-electron transistor and another serving as a single-electron trap. To verify our design, we have performed transport simulations based on the ab-initio calculation of molecules' electronic structure, and the general theory of single-electron tunneling. Our results show that molecular assemblies with a length below 10 nm and a footprint area of about 5 nm2 may combine millisecond-scale switching times with multi-year retention times, as well as high (> 10³) ON/OFF current ratios, at a room temperature. Moreover, Monte Carlo simulations of self-assembled-monolayers (SAM) of the designed molecules show that such monolayers may be also used as resistive switches, with comparable characteristics, and as an addition, a substantial tolerance to fabrication defects and random offset charges.