Single-Molecule junctions based on selenol - Terminated anchor -A promising candidate for electron transport

In this paper, we perceived the effect of sulphur and selenium as anchoring groups on the nanometre scale electron transport properties of single molecular junction comprising of anthracene molecule stringed to two semi-infinite electrodes using Extended Huckel Theory (EHT) based semi-empirical model. The electron transport parameters were examined by buffering anthracene between gold electrodes and attaching sulphur and selenium one by one with gold electrodes, called molecular alligator clips, under different bias voltages. Negative differential resistance characteristics were found in the conductance-bias voltage characteristics. The simulated results discovered selenium as a better candidate in comparison to sulphur for electron transport at nanometre scale through molecular junctions.