Growth of nitrogen-doped graphene on copper: Multiscale simulations

P. Gaillard, A. L. Schoenhalz, P. Moskovkin, Stéphane Lucas, L. Henrard

Résultats de recherche: Contribution à un journal/une revueArticle


We used multiscale simulations to model the growth of nitrogen-doped graphene on a copper substrate by chemical vapour deposition (CVD). Our simulations are based on ab-initio calculations of energy barriers for surface diffusion, which are complemented by larger scale Kinetic Monte Carlo (KMC) simulations. Our results indicate that the shape of grown doped graphene flakes depends on the temperature and deposition flux they are submitted during the process, but we found no significant effect of nitrogen doping on this shape. However, we show that nitrogen atoms have a preference for pyridine-like sites compared to graphite-like sites, as observed experimentally. 2015 Elsevier B.V. All rights reserved.

langue originaleAnglais
Pages (de - à)102-108
Nombre de pages7
journalSurface Science
Les DOIs
Etat de la publicationPublié - 1 févr. 2016

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  • Projets

    Doped graphene : multiscale simulations

    Henrard, L., Lucas, S., Moskovkin, P. & CHANIER, T.


    Projet: Recherche


  • Activités

    • 1 Participation à une conférence, un congrès

    Graphene 2015

    Luc Henrard (Poster)

    9 mars 201513 mars 2015

    Activité: Types de Participation ou d'organisation d'un événementParticipation à une conférence, un congrès

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