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

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

Research output: Contribution to journalArticlepeer-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 languageEnglish
Pages (from-to)833-842
Number of pages10
JournalCarbon
Volume95
DOIs
StatePublished - 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.

FundersFunder 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 CommissionN 11/16-037
Empire State Development's Division of Science, Technology and InnovationC080117

    Fingerprint

    Dive into the research topics of 'Charge carrier transport and separation in pristine and nitrogen-doped graphene nanowiggle heterostructures'. Together they form a unique fingerprint.

    Cite this