Single-Molecule Electric Revolving Door

This work proposes a new type of molecular machine, the single-molecule electric revolving door, which utilizes conductance dependence upon molecular conformation as well as destructive quantum interference. We perform electron transport simulations in the zero-bias limit using the Landauer formalism together with density functional theory. The simulations. show that the open- and closed-door states, accompanied by significant conductance variation, can be operated by an external electric field. The large on-off conductance ratio (similar to 10(5)) implies that the molecular machine can also serve as an effective switching device. The simultaneous control and detection of the door states can function at the nanosecond scale, thereby offering a new capability for molecular-scale devices.