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 H 2O@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.
| Original language | English |
|---|---|
| Article number | 156103 |
| Number of pages | 5 |
| Journal | Physical Review Letters |
| Volume | 110 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 12 Apr 2013 |
| Externally published | Yes |
Funding
The work is supported by National Science Foundation (CMMI-0643726), DARPA (W91CRB-11-C-0112), National Natural Science Foundation of China (11172231), Changjiang Scholar Program from Ministry of Education of China, and World Class University program through the National Research Foundation of Korea (R32-2008-000-20042-0).