• 文献标题:   Anomalous transport properties in boron and phosphorus co-doped armchair graphene nanoribbons
  • 文献类型:   Letter
  • 作  者:   KIM HS, KIM SS, KIM HS, KIM YH
  • 作者关键词:   graphene nanoribbon, codoping, structural doping, acceptordonor transition, firstprinciples calculation
  • 出版物名称:   NANOTECHNOLOGY
  • ISSN:   0957-4484 EI 1361-6528
  • 通讯作者地址:   Korea Adv Inst Sci Technol
  • 被引频次:   2
  • DOI:   10.1088/0957-4484/27/47/47LT01
  • 出版年:   2016

▎ 摘  要

Multi-element doping of graphene could potentially provide functionalities that are not available in the single-element doping approach, but it has not been actively studied so far. Carrying out first-principles calculations, we study the structural, electronic, and transport properties of B-P edge-co-doped armchair graphene nanoribbons (aGNRs). We find that the B, P-complex edge-doped aGNRs exhibit an n-type transport behavior, which is counterintuitive considering the p-type and bipolar characters of the corresponding B-and P-doped aGNRs, respectively. Moreover, we show that the n-type property of B, P co-doped aGNRs is superior to that of representative N-doped aGNRs in terms of preserving the valence band edge conductance spectrum. Analyzing the mechanisms, we demonstrate that the structural distortion rather than chemical valence induces the anomalous donor character of B, P co-doped aGNRs. We thus propose a systematic modification of GNR atomic structures via co-doping as a novel approach to control charge transport characteristics of GNRs.