A Theoretical Investigation on Rectifying Performance of a Single Motor Molecular Device
LEI Hui** , TAN Xun-Qiong
Department of Electronics and Information Engineering, Changsha University of Science and Technology, Changsha 410004
Abstract :We report ab initio calculations of the transport behavior of a phenyl substituted molecular motor. The calculated results show that the transport behavior of the device is sensitive to the rotation degree of the rotor part. When the rotor part is parallel with the stator part, a better rectifying performance can be found in the current-voltage curve. However, when the rotor part revolves to vertical with the stator part, the currents in the positive bias region decrease slightly. More importantly, the rectifying performance disappears. Thus this offers us a new method to modulate the rectifying behavior in molecular devices.
出版日期: 2015-01-20
:
73.63.-b
(Electronic transport in nanoscale materials and structures)
85.65.+h
(Molecular electronic devices)
31.15.A-
(Ab initio calculations)
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