Fluorination effects on the electronic transport properties of dithiophene-tetrathiafulvalene (DT-TTF) molecular junctions

The fluorination of dithiophene-tetrathiafulvalent (DT-TTF) was investigated by using the density functional theory combined with nonequilibrium Green's function method. It is demonstrated that fluorination can modify the electronic transport properties of DT-TTF. Negative differential resistance can be observed within a certain bias voltage range in 4FDT-TTF.

► Fluorination effects on the electronic transport in TTF molecular junction.
► F-substitution can modify the electronic transport properties of DT-TTF.
► NDR can be observed within a certain bias voltage range in 4FDT-TTF.