INFLUENCE OF MOLECULE MODIFICATION AND LINKING GROUP ON ELECTRONIC TRANSPORT IN MOLECULAR DEVICES

Abstract

We investigated the effect of molecule modification and linking group on the electronic transports in salicylidene aniline-based molecular devices by first-principles calculation. The devices with cis and trans configurations exhibit a switching effect. The different molecule modification and linking group induce different electronic transports. The linking groups thienylthiol and phenylthiol reduce the current of devices with cis and trans configurations. The group –NH2 is used to modify the molecule enhances the currents of devices with cis and trans configurations, and the –NO2 enhances the current of device with cis configuration and reduces the current of device with trans configuration. Both the molecule modification and changed linking group suppress the switching ratio. The results suggest that the electronic transport can be modulated by modifying molecule and changing linking group. Especially, the molecule modification can improve the current of molecular device.