Table shows the computed tunneling characteristics and conductance of BDA and BDT junctions containing gold electrodes. Due to the smaller size of nitrogen compared to sulphur, the tunneling distance, i.e., the width of the tunneling barrier, a, is shorter in the BDA-gold junction than in either of the two BDTgold junctions. The height of the tunneling barrier, φ b , is also sensitive to the nature of the linker atom, as evident in the lower φ b of 1.51 eV for the BDA-gold-atop junction compared to 1.66 eV for the BDT-gold-atop junction, indicating that when the junction is formed at atop sites, amine-gold bonds raise the transport level closer to the Fermi level compared to thiol-gold bonds. The lower φ b and a of the BDA-gold-atop junction lead to a greater conductance of 7.87 mG 0 compared to 4.33 mG 0 of the BDT-gold-atop junction.