Ab initio study of single-molecule rotation switch based on nonequilibrium Green's function theory.
The bistable molecular switches have been studied theoretically based on the first-principles calculation. The geometry structures of the switches studied in this paper can be triggered between two symmetrical structures by using an external applied electric field. I-V characteristic curves of the different molecule configurations have been calculated, and distinguishability of these characteristic curves indicates a switching behavior, the performance of which can be improved significantly by some suitable donors and acceptors.
Liang
Y Y
YY
Physics Department, Fudan University, Shanghai 200433, People's Republic of China.
Jiang
F
F
Zhou
Y X
YX
Chen
H
H
Note
R
R
Mizuseki
H
H
Kawazoe
Y
Y