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OverviewOne 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. Full Product DetailsAuthor: Holly Alexandra TetlowPublisher: Springer International Publishing AG Imprint: Springer International Publishing AG Edition: 1st ed. 2017 Weight: 0.538kg ISBN: 9783319659718ISBN 10: 3319659715 Pages: 182 Publication Date: 11 October 2017 Audience: Professional and scholarly , College/higher education , Professional & Vocational , Postgraduate, Research & Scholarly Format: Hardback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of ContentsIntroduction.- Theoretical Methods.- Producing a Source of Carbon: Hydrocarbon Decomposition.- Hydrocarbon Decomposition: Kinetic Monte Carlo Algorithm.- Thermal Decomposition in Graphene Growth: Kinetic Monte Carlo Results.- Beginnings of Growth: Carbon Cluster Nucleation.- Removing Defects: Healing Single Vacancy Defects.- Final Remarks.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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