فهرست نشریات علمی دسترسی آزاد ایران

The formamide molecule together with the benzene molecule as the scattering region locates between two zigzag (5,0) carbon nanotubes as electrodes under bias voltage in order to study the electronic transport of the molecular junctions. The calculations are based on DFT-NEGF method. The electronic transport characteristics of the CNT(5,0)/Benzene +Formamide /CNT(5,0), CBFC, system were investigated in the presence and absence of CO2 molecule. The diagram of transmission function for the system in the absence of CO2 molecule shows a broad peak, which locates on the Fermi level at low bias voltages. For higher bias voltages, the broad peak of the transmission coefficient disappears. However, in the presence of CO2 molecule, for small bias voltages, the transport modes on the Fermi energy decrease when the bias voltage increases, and for higher bias voltages, the transmission due to HOMO and LUMO peaks in the bias window and the Fermi level increases again. Also, the I-V curves of the system in the presence and absence of CO2 molecule has almost the same behavior, and negative differential resistance (NDR) is observed. Finally, it seems the system will be significantly able to be used as an active sensor and biosensor.