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Systematic Modulation of Charge Transport in Molecular Device through Facile Control of Molecule-Electrode Coupling using Double Self-assembled Monolayers Nanowire Junction
摘要： We report a novel solid-state molecular device structure based on double self-assembled monolayers (D-SAMs) incorporated into the suspended nanowire architecture to form “Au | SAM-1 || SAM-2 | Au” junction. Using commercially available thiol molecules that are devoid of synthetical difficulty, we constructed Au | S-(CH2)6-Ferrocene || SAM-2 | Au junction, with various length and chemical structure of SAM-2 to tune the coupling between ferrocene conductive molecular orbital and electrode of the junction. Combining low noise and wide temperature range measurement, we demonstrated systematically modulated conduction depending on the length and chemical nature of SAM-2. Meanwhile, transport mechanism transition from tunneling to hopping, and the intermediate state accompanied by the current fluctuation due to the coexistence of the hopping and tunneling transport channels, were observed. Considering the versatility of this solid-state D-SAMs in modulating the electrode-molecule interface and electroactive groups, this strategy thus provides a novel facile strategy for tailorable nanoscale charge transport study and functional molecular devices.
关键词： charge transport,molecular device,nanowire junction,self-assembled monolayers,ferrocene
更新于2025-09-23 15:21:01
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Rectification in zigzag graphene/BN nanoribbon heterojunction
摘要： We investigate the effect of changed BN nanoribbon on the rectifying behavior in zigzag graphene/BN nanoribbon heterojunction using first principles based on non-equilibrium Green’s function and density functional theory. The increased BN length in the scattering region reduces the rectifying performance of the device, and the maximum rectifying ratio is 9.8×1014 in the heterojunction. We discuss the different rectifying characteristics for the designed models by calculating the transmission spectra at different biases. The rectifying phenomenon is further investigated by the projected density of state of device. Furthermore, we explain the observed negative differential resistance effect by the transmission spectra and transmission eigenstates. The results suggest that the zigzag graphene/BN nanoribbon heterojunction leads to the asymmetric current, causing the rectifying phenomenon, and the BN length in the scattering region can modulate the rectifying performance of zigzag graphene/BN nanoribbon heterojunction.
关键词： Molecular device,electronic transport,rectification
更新于2025-09-09 09:28:46