title: Electrical-driven transport of endohedral fullerene encapsulating a single water molecule.
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.
authors.affiliation: Department of Earth and Environmental Engineering, Columbia Nanomechanics Research Center, Columbia University, New York, New York 10027, USA.
authors.forename: Baoxing
authors.initials: B
authors.lastname: Xu
authors.affiliation: Department of Earth and Environmental Engineering, Columbia Nanomechanics Research Center, Columbia University, New York, New York 10027, USA and SV Lab, International Center for Applied Mechanics, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049, China and Department of Civil and Environmental Engineering, Hanyang University, Seoul 133-791, Korea.
authors.forename: Xi
authors.initials: X
authors.lastname: Chen