• 文献标题:   Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures
  • 文献类型:   Article
  • 作  者:   LHERBIER A, LIANG LB, CHARLIER JC, MEUNIER V
  • 作者关键词:  
  • 出版物名称:   CARBON
  • ISSN:   0008-6223 EI 1873-3891
  • 通讯作者地址:   Catholic Univ Louvain
  • 被引频次:   6
  • DOI:   10.1016/j.carbon.2015.08.111
  • 出版年:   2015

▎ 摘  要

Electronic structure methods are combined into a multiscale framework to investigate the electronic transport properties of recently synthesized pristine and nitrogen-doped graphene nanowiggles and their heterojunctions deposited on a substrate. Real-space Kubo-Greenwood transport calculations reveal that charge carrier mobilities reach values up to 1000 cm(2) V-1 s(-1) as long as the amount of substrate impurities is sufficiently low. Owing to their type-II band alignment, atomically precise heterostructures between pristine and N-doped graphene nanowiggles are predicted to be excellent candidates for charge carrier separation devices with potential in photoelectric and photocatalytic water splitting applications. (C) 2015 Elsevier Ltd. All rights reserved.