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Theoretical Studies On Electronic Properties Of Curved Graphene Quantum Dots And Lithium Adsorption On Graphene Quantum Dots, Naruwan Pattarapongdilok
Theoretical Studies On Electronic Properties Of Curved Graphene Quantum Dots And Lithium Adsorption On Graphene Quantum Dots, Naruwan Pattarapongdilok
Chulalongkorn University Theses and Dissertations (Chula ETD)
Graphene quantum dots (GQDs), with their attractive properties, are of interest to apply for electronic devices. Therefore, this dissertation aimed to investigate the electronic of curved graphene quantum dots (CGQDs) and the adsorption of lithium on GQDs. For the first part, two shapes of flat GQDs, rhomboidal (RGQDs) and hexagonal (HGQDs), were modified to make CGQDs with different folding axes and angles. Stabilities and electronic properties of CGQDs were studied using PBE/DNP. The results showed that the deformation energies of GQDs depend on sizes and folding axes but not their shapes. HOMO-LUMO gap variations, both widening and narrowing the gap, …