• 文献标题:   Crown Graphene Nanomeshes: Highly Stable Chelation-Doped Semiconducting Materials
  • 文献类型:   Article
  • 作  者:   MAAROUF AA, NISTOR RA, AFZALIARDAKANI A, KURODA MA, NEWNS DM, MARTYNA GJ
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL THEORY COMPUTATION
  • ISSN:   1549-9618 EI 1549-9626
  • 通讯作者地址:   IBM Corp
  • 被引频次:   12
  • DOI:   10.1021/ct4000636
  • 出版年:   2013

▎ 摘  要

Graphene nanomeshes (GNMs) formed by the creation of pore superlattices in graphene are a possible route to graphene-based electronics due to their semiconducting properties, including the emergence of fractional electronvolt band gaps. The utility of GNMs would be markedly increased if a scheme to stably, and controllably dope them was developed. In this work, a chemically motivated approach to GNM doping based on selective pore perimeter passivation and subsequent ion chelation is proposed. It is shown by first-principles calculations that ion chelation leads to stable doping of the passivated GNMs both n- and p-doping are achieved within a rigid band picture. Such chelated or "crown" GNM structures are stable, high mobility semiconducting materials possessing intrinsic doping concentration control; these can serve as building blocks for edge free graphene nanoelectronics including GNM-based complementary metal oxide semiconductor (CMOS)-type logic switches.