A density functional theory investigation of graphene-based materials

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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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Citation Formats

C. S. Sayın, “A density functional theory investigation of graphene-based materials,” Ph.D. - Doctoral Program, Middle East Technical University, 2014.