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

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 revea...

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Bibliographic Details
Published in:Carbon (New York) 2015-12, Vol.95 (C), p.833-842
Main Authors: Lherbier, Aurélien, Liang, Liangbo, Charlier, Jean-Christophe, Meunier, Vincent
Format: Article
Language:English
Subjects:
NANOSCIENCE AND NANOTECHNOLOGY
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Summary: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 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.
ISSN:0008-6223
1873-3891
DOI:10.1016/j.carbon.2015.08.111