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 (∼10⁵) 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.