Conductance Switching In Molecular Self-Assembled Monolayers For Application Of Data Storage

By carrying out dispersion-inclusive density-functional theory computations, we propose a novel type of molecular memory based on the physisorbed and chemisorbed states of a layer of aromatic molecules on metal surfaces. As exemplified by hexachlorobenzene (C6Cl6) on Pt(111), we find that the self-assembled monolayer exhibits an intriguing bistable behavior: molecules can stay stable in either the physiosorbed state ("1") or the chemisorbed state ("0"), along with a moderate switching barrier. Correspondingly, our transport computations based on the nonequilibrium Green's function uncover a distinct conductance switching behavior of the molecular layer at the two states. Finally, we determine the thermal stability of the well-defined arrays and demonstrate the feasibility of using a molecule as a bit in an ordered pattern.