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A density functional theory investigation of graphene-based materials
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index.pdf
Date
2014
Author
Sayın, Ceren Sibel
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Employability of graphene-based materials in various technological applications in order to exploit its exceptional properties is achieved/improved via their interactions with various atoms, molecules, nanostructures and surfaces. In this thesis, the interaction of cyclohexane and derived molecules, carbon nanotubes and metallic surfaces with both pristine and defected graphene structures are investigated using density functional theory.
Subject Keywords
Graphene.
,
Cyclohexane.
,
Carbon nanotubes.
,
Density functionals.
URI
http://etd.lib.metu.edu.tr/upload/12618108/index.pdf
https://hdl.handle.net/11511/23941
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Graduate School of Natural and Applied Sciences, Thesis
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C. S. Sayın, “A density functional theory investigation of graphene-based materials,” Ph.D. - Doctoral Program, Middle East Technical University, 2014.