TY - JOUR
T1 - Electrical-driven transport of endohedral fullerene encapsulating a single water molecule
AU - XU, Baoxing
AU - CHEN, Xi
PY - 2013/4/12
Y1 - 2013/4/12
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84876277191&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.110.156103
DO - 10.1103/PhysRevLett.110.156103
M3 - Journal Article (refereed)
AN - SCOPUS:84876277191
SN - 0031-9007
VL - 110
JO - Physical Review Letters
JF - Physical Review Letters
IS - 15
M1 - 156103
ER -