Study of Novel Properties of Graphene-Zno Hetrojunction Interface Using Density Functional theory

dc.contributor.advisorKenate Nemera (PhD)
dc.contributor.authorHailu Diro
dc.date.accessioned2024-02-15T08:30:03Z
dc.date.available2024-02-15T08:30:03Z
dc.date.issued2023-03
dc.description.abstractStudies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and because of the different work functions of graphene and ZnO, charge transfer takes place. Graphene’s superior conductivity is not impacted by its interaction with ZnO, since its Dirac point is unaffected despite its adsorption on ZnO. In hybrid systems, excited electrons with energies between 0 and 3 eV (above Fermi energy) are primarily accumulated on graphene. The calculations offer a theoretical justification for the successful operation of graphene/ZnO hybrid materials as photocatalysts and solar cells. ZnO semiconductor is found to be a suitable material with modest band gap, (_ 3 eV), having high transparency in visible region and a high optical conductivity.
dc.identifier.urihttps://etd.aau.edu.et/handle/123456789/1795
dc.language.isoen_US
dc.publisherAddis Ababa University
dc.subjectStudy of Novel Properties
dc.subjectGraphene-Zno
dc.subjectHetrojunction
dc.subjectInterface Using Density
dc.subjectFunctional theory
dc.titleStudy of Novel Properties of Graphene-Zno Hetrojunction Interface Using Density Functional theory
dc.typeThesis

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