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Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface

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  • © 2017

Overview

  • Nominated as an outstanding PhD thesis by the King’s College London, London, UK
  • A detailed exploration of a method for growing high quality graphene
  • Includes clear description of all the necessary theoretical tools
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (8 chapters)

Keywords

About this book

One possible method of producing high-quality graphene is to grow it epitaxially; this thesis investigates the mechanisms involved in doing so. It describes how the initial stages of growth on the Ir(111) surface are modelled using both rate equations and kinetic Monte Carlo, based upon nudged elastic band (NEB) calculated reaction energy barriers. The results show that the decomposition mechanism involves production of C monomers by breaking the C-C bond.

In turn, the thesis explores the nucleation of carbon clusters on the surface from C monomers prior to graphene formation. Small arch-shaped clusters containing four to six C atoms, which may be key in graphene formation, are predicted to be long-lived on the surface.

In closing, the healing of single vacancy defects in the graphene/Ir(111) surface is investigated, and attempts to heal said defects using ethylene molecules is simulated with molecular dynamics and NEB calculated energy barriers.

Authors and Affiliations

  • Department of Physics, King’s College London, London, United Kingdom

    Holly Alexandra Tetlow

Bibliographic Information

  • Book Title: Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface

  • Authors: Holly Alexandra Tetlow

  • Series Title: Springer Theses

  • DOI: https://doi.org/10.1007/978-3-319-65972-5

  • Publisher: Springer Cham

  • eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)

  • Copyright Information: Springer International Publishing AG 2017

  • Hardcover ISBN: 978-3-319-65971-8Published: 11 October 2017

  • Softcover ISBN: 978-3-319-88140-9Published: 15 August 2018

  • eBook ISBN: 978-3-319-65972-5Published: 02 October 2017

  • Series ISSN: 2190-5053

  • Series E-ISSN: 2190-5061

  • Edition Number: 1

  • Number of Pages: XV, 182

  • Number of Illustrations: 45 b/w illustrations, 63 illustrations in colour

  • Topics: Surface and Interface Science, Thin Films, Nanotechnology, Surfaces and Interfaces, Thin Films

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