A density functional theory investigation of graphene-based materials

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Thesis Type: Doctorate

Institution Of The Thesis: Orta Doğu Teknik Üniversitesi, Faculty of Arts and Sciences, Department of Physics, Turkey

Approval Date: 2014

Student: CEREN SİBEL SAYIN

Supervisor: HANDE TOFFOLİ

Abstract:

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.