Significant negative differential resistance and current limiting effects of cyclo[14]carbon-based molecular devices with graphene electrodes

Through tip-induced dehalogenation and retro-Bergman ring-opening reaction of fully chlorinated anthanthrene (C14Cl10), the cyclo[14]carbon (C14) was prepared. Owing to its distinctive physical properties, C14 holds the potential to serve as the core unit of functional electronic devices. Herein, the density functional theory combined with the non-equilibrium Green's function technique was used to investigate the electronic transport properties of molecular devices composed of C14 molecules and graphene electrodes, systematically. We find that molecular devices composed of polyynic and cumulenic structures of C14 exhibit a significant negative differential resistance effect and effective current limiting ability at low bias voltages, respectively. Moreover, by calculating and analyzing the transmission function and projected density of states under different biases, a reasonable explanation of those effects is provided.