A charge-driven molecular flip-flop

Abstract

Using molecular dynamics simulations, we exploit a charge-driven flip-flop that is composed several water molecules confined in a single-walled carbon nanotube. The flip-flop has two stable states and can be used to store state information. It can toggle between the two states within 2.5-3.5 ps (286 GHz-400 GHz). We reveal that the underlying mechanism is dominated by the interaction between the water molecules and nonuniform electric field generated by point charges. Namely, each water molecule tends to maintain its lowest electric energy by moving toward the location with the highest field strength. This flip-flop may be of value for molecular computing.