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One notable manifestation of the peculiar edge-localized states in zigzaggraphene nanoribbons (zGNRs) is the p-type (n-type) characteristics of nitrogen(boron) edge-doped GNRs, and such behavior was so far considered to beexclusive for zGNRs. Carrying out first-principles electronic structure andquantum transport calculations, we herein show that the donor-acceptortransition behavior can also arise in the B/N edge-doped armchair GNRs (aGNRs)by introducing a bipolar P codopant atom into the energetically most favorablenearest neighbor edge sites. The n-type (p-type) transport properties of B,P(N,P) co-doped aGNRs are also shown to be superior to those of reference singleN (B) doped aGNRs in that the valence (conduction) band edge conductancespectra are better preserved. Disentangling the chemical doping and structuraldistortion effects, we will demonstrate that the latter plays an important rolein determining the transport type and explains the donor-acceptor transitionfeature as well as the bipolar character of P-doped aGNRs. We thus propose thesystematic modification of GNR edge atomic structures via co-doping as a novelapproach to control charge transport characteristics of aGNRs.

Controlling transport properties of graphene nanoribbons by codoping-induced edge distortions