Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures

Lherbier, Aurélien;Liang, Liangbo;Charlier, Jean-Christophe;Meunier, Vincent
(2015) Carbon — Vol. 95, p. 833-842 (2015)

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Authors
  • Lherbier, AurélienUCLouvain
    Author
  • Liang, LiangboCenter for Nanophase Materials Sciences, Oak Ridge, TN, USA
    Author
  • Meunier, VincentDepartment of Materials Science and Engineering, Troy, NY, USA
    Author
Abstract
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 cm² V1 s1 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.
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Citations

Lherbier, A., Liang, L., Charlier, J.-C., & Meunier, V. (2015). Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures. Carbon, 95, 833-842. https://doi.org/10.1016/j.carbon.2015.08.111 (Original work published 2015)