2015/12/30 by Hyo Seok Kim, Seong Sik Kim, Kim, Hyo Seok +6
Engineering · Materials Science · Physics and Astronomy · #Advancements in Battery Materials #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Quantum and electron transport phenomena #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1512.08914
11 pages, 5 figures, 1 table
arxiv created 2015/12/30 · openalex publication_date 2015/12/30 · arxiv updated 2015/12/31 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
One notable manifestation of the peculiar edge-localized states in zigzag graphene nanoribbons (zGNRs) is the p-type (n-type) characteristics of nitrogen (boron) edge-doped GNRs, and such behavior was so far considered to be exclusive for zGNRs. Carrying out first-principles electronic structure and quantum transport calculations, we herein show that the donor-acceptor transition behavior can also arise in the B/N edge-doped armchair GNRs (aGNRs) by introducing a bipolar P codopant atom into the energetically most favorable nearest 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 single N (B) doped aGNRs in that the valence (conduction) band edge conductance spectra are better preserved. Disentangling the chemical doping and structural distortion effects, we will demonstrate that the latter plays an important role in determining the transport type and explains the donor-acceptor transition feature as well as the bipolar character of P-doped aGNRs. We thus propose the systematic modification of GNR edge atomic structures via co-doping as a novel approach to control charge transport characteristics of aGNRs.