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Electrical-driven transport of endohedral fullerene encapsulating a single water molecule
1Department of Earth and Environmental Engineering, Columbia Nanomechanics Research Center, Columbia University, New York, New York 10027, USA.
Abstract:
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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