Abstract
Electron tunneling efficiency of armchair graphene nanoribbons (AGNRs) with the different widths N (N = 5–14) was evaluated by calculating decay constant βJ of the exchange interaction J between terminal nitronyl nitroxides using broken-symmetry unrestricted density functional theory (UDFT) calculations. The open-shell character of the AGNR moiety originating from the “edge state” was effectively suppressed by the addition of peri-fused benzene ring. Thus calculated J values followed exponential decay against the molecular length, and the βJ values were much smaller for AGNRs with N = 3n − 1 than AGNRs with N = 3n or 3n + 1.
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