Encapsulating a single water molecule inside an endohedral fullerene provides an opportunity for manipulating the H₂O@C₆₀ through the encapsulated polar H₂O molecule. Using molecular dynamic simulations, we propose a strategy of electrical-driven transport of H₂O@C₆₀ inside a channel, underpinned by the unique behavior of a water molecule free from a hydrogen-bonding environment. When an external electrical field is applied along the channel's axial direction, steady-state transport of H₂O@C₆₀ can be reached. The transport direction and rate depend on the applied electrical intensity as well as the polar orientation of the encapsulated H₂O molecule.
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Xu et al. (2013) studied this question.
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