The effect of <i>peri</i>-fusion position on the single molecular conductivity of armchair graphene nanoribbons theoretically evaluated by decay constant of exchange interaction

Abstract Armchair graphene nanoribbons (AGNRs) are promising materials with conductivity dependent on width (N), but their open-shell character due to edge states can cause instabilities. We previously showed that peri-benzo fusion at AGNRs’ edges removes the edge states while preserving width-dependent conductivity. In this work, we investigated the effect of peri-fusion position on conductivity by evaluating decay constant of exchange interaction (βJ) between radicals at both ends of N = 8 AGNRs. It was found that the βJ for shorter ribbons was highly sensitive to the fused ring's position, with less variation in longer ribbons.