Multiscale numerical simulations of the growth and electronic properties of chemically doped graphene.

Project: Research

Project Details

Description

By means of multiscale simulations based on ab-initio and kinetic Monte-Carlo methods, we aim at :

1) Understand the mechanism of production of chemically modified graphene expose to nitrogen plasma.

2) Understand the growth mechanism in CVD production of doped graphene on Cu surface.

3) Predict the experimental fingerprints and the physical properties of the obtained structures.
StatusFinished
Effective start/end date1/07/1330/06/15

Keywords

  • Graphene / Numerical simulations / Ab-initio / kinetic Monte-Carlo / Chemical Vapor Deposition /Plasma Treatment / STM

Research Output

Growth of nitrogen-doped graphene on copper: Multiscale simulations

Gaillard, P., Schoenhalz, A. L., Moskovkin, P., Lucas, S. & Henrard, L., 1 Feb 2016, In : Surface Science. 644, p. 102-108 7 p.

Research output: Contribution to journalArticle

  • From carbon atom to graphene on cu(111): An ab-initio study

    Chanier, T. & Henrard, L., 2015, In : European Physical Journal B. 88, 2, p. 1-5 5 p.

    Research output: Contribution to journalArticle

    File
  • 736 Downloads (Pure)

    Multiscale simulations of the early stages of the growth of graphene on copper

    Gaillard, P., Chanier, T., Henrard, L., Moskovkin, P. & Lucas, S., 2015, In : Surface Science. 637-638, p. 11-18 8 p., 20440.

    Research output: Contribution to journalArticle

    File
  • 327 Downloads (Pure)

    Activities

    • 1 Participation to a Symposium, a study Day
    • 1 Participation in conference

    Graphene 2015

    Luc Henrard (Poster)

    9 Mar 201513 Mar 2015

    Activity: Participating in or organising an event typesParticipation in conference

    Kick-Off meeting. EU graphene Flahship

    Luc Henrard (Contributor)

    22 Oct 201423 Oct 2014

    Activity: Participating in or organising an event typesParticipation to a Symposium, a study Day

    Equipment