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Springer Theses

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

Authors: Tetlow, Holly Alexandra

  • 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
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eBook $99.00
price for USA (gross)
  • ISBN 978-3-319-65972-5
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  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-319-65971-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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.

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-3-319-65972-5
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-319-65971-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface
Authors
Series Title
Springer Theses
Copyright
2017
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing AG
eBook ISBN
978-3-319-65972-5
DOI
10.1007/978-3-319-65972-5
Hardcover ISBN
978-3-319-65971-8
Series ISSN
2190-5053
Edition Number
1
Number of Pages
XV, 182
Number of Illustrations and Tables
45 b/w illustrations, 63 illustrations in colour
Topics