A density functional theory investigation of graphene-based materials

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Tezin Türü: Doktora

Tezin Yürütüldüğü Kurum: Orta Doğu Teknik Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü, Türkiye

Tezin Onay Tarihi: 2014

Öğrenci: CEREN SİBEL SAYIN

Danışman: HANDE TOFFOLİ

Özet:

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.