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

Aurélien Lherbier; Liangbo Liang; Jean Christophe Charlier; Vincent Meunier

doi:10.1016/j.carbon.2015.08.111

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

Aurélien Lherbier, Liangbo Liang, Jean Christophe Charlier, Vincent Meunier

Nanomaterials Theory Institute

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

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 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.

Original language	English
Pages (from-to)	833-842
Number of pages	10
Journal	Carbon
Volume	95
DOIs	https://doi.org/10.1016/j.carbon.2015.08.111
State	Published - Oct 11 2015

Funding

A.L. and J-C.C. acknowledge financial support from the F.R.S.-FNRS of Belgium , and from the Communauté Française de Belgique through the ARC on Graphene Nano-electromechanics ( N 11/16-037 ). V.M. acknowledges the support from New York State under the New York State Office of Science, Technology and Academic Research (NYSTAR) Contract C080117 and the Office of Naval Research . L.L. was supported as a Eugene P. Wigner Fellow at Oak Ridge National Laboratory. Computational resources have been provided by the supercomputing facilities from the Université catholique de Louvain (CISM/UCL), from the Consortium des Equipements de Calcul Intensif en Fédération Wallonie Bruxelles (CECI), and from the Center for Computational Innovation at Rensselaer Polytechnic Institute (RPI). The authors declare no competing financial interests.

Funders	Funder number
Communauté Française de Belgique
F.R.S.-FNRS of Belgium
New York State Office of Science, Technology and Academic Research
Office of Naval Research
Appalachian Regional Commission	N 11/16-037
Empire State Development's Division of Science, Technology and Innovation	C080117

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AU - Charlier, Jean Christophe

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ER -

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

Abstract

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