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Electrical-Driven Transport of Endohedral Fullerene Encapsulating a Single Water Molecule

Baoxing Xu's picture

Baoxing Xu and Xi Chen, Phys. Rev. Lett. 110, 156103(2013) and the accompanying Physics Focus: Pushing a fullerene through a nantube

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 dynamics (MD) simulations, we propose a strategy of electrical-driven transport of H2O@C60 inside a channel, underpinned by the unique behavior of water molecule free from hydrogen-bonding environment. When an external field is applied along the channel's axial direction, steady-state transport of H2O@C60 can be reached. The transport direction can rate depend on the applied electric intensity as well as the polar orientation of the encapsulated H2O molecule.

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