Effects of different electrodes and substituent groups on molecular switching
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DOI: 10.1007/s00214-018-2257-5
Abstract: We investigate the electronic transport properties of hydroxychalcone and flavanone molecules sandwiched between zigzag-edge or armchair-edge graphene electrodes using density functional theory and non-equilibrium Green’s function. The substitutions of electron-donating –NH2 and electron-withdrawing group –NO2… read more here.
Keywords: electrodes substituent; different electrodes; substituent groups; molecular switching ... See more keywords