Title Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface Author(s) Tetlow, Holly Alexandra Publication Cham, Springer International Publishing, 2017. Description XV, 182 p. 108 illus., 63 illus. in color : online resource Abstract Note 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 ISBN,Price 9783319659725 Keyword(s) 1. EBOOK 2. EBOOK - SPRINGER 3. Interfaces (Physical sciences) 4. Materials???Surfaces 5. NANOTECHNOLOGY 6. Surface and Interface Science, Thin Films 7. Surfaces (Physics) 8. Surfaces and Interfaces, Thin Films 9. THIN FILMS Item Type eBook Multi-Media Links Please Click here for eBook Circulation Data Accession#   Call# Status Issued To Return Due On Physical Location I09795     On Shelf