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The Resource Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface, by Holly Alexandra Tetlow, (electronic resource)

Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface, by Holly Alexandra Tetlow, (electronic resource)

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Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface
Title
Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface
Statement of responsibility
by Holly Alexandra Tetlow
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Subject
Language
eng
Summary
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
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Literary form
non fiction
Series statement
Springer Theses, Recognizing Outstanding Ph.D. Research,
Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface, by Holly Alexandra Tetlow, (electronic resource)
Label
Theoretical Modeling of Epitaxial Graphene Growth on the Ir(111) Surface, by Holly Alexandra Tetlow, (electronic resource)
Link
http://libproxy.rpi.edu/login?url=http://dx.doi.org/10.1007/978-3-319-65972-5
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Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Introduction -- 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
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https://contentcafe2.btol.com/ContentCafe/Jacket.aspx?Return=1&Type=S&Value=9783319659725&userID=ebsco-test&password=ebsco-test
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unknown
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{'f': 'http://opac.lib.rpi.edu/record=b4379960'}
Extent
XV, 182 p. 108 illus., 63 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319659725
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote

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