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Structural and electronic properties of a two-dimensional hybrid system of graphene and hexagonal boron nitride: A first-principles study

dc.contributor.authorMahadi, Rabiatu
dc.date.accessioned2022-08-26T08:30:51Z
dc.date.available2022-08-26T08:30:51Z
dc.date.issued2019-06-02
dc.identifier.urihttp://repository.aust.edu.ng/xmlui/handle/123456789/5064
dc.description2019 Theoretical and Applied Physics Masters Thesesen_US
dc.description.abstractDespite the excellent properties of graphene, graphene based electronic devices are yet to be realized, one of the reason for such is the absence of band gap in graphene. Due to its large band gap, hexagonal boron nitride (h-BN) is not suitable for electronic application. Here, we present a new method of tailoring the electronic properties of both graphene and h-BN by making a 2-d hybrid containing both materials. In this study, we investigate the structural and electronic properties of graphene/h-BN lateral hybrid using DFT at different proportions. Our result shows that, as the proportion of h-BN in the hybrid is increased, band gap opens in the range of 0.64 - 1.1 eV. This suggest that our hybrid is semiconducting and can be used for different electronic applications. Even though the structural parameters of the hybrid changes with increasing concentration of h-BN, the formation energy of the hybrid increases as the proportion of h-BN in the hybrid is increased, thus this proposed hybrid is very stable.en_US
dc.description.sponsorshipAUST and AfDBen_US
dc.language.isoenen_US
dc.publisherAUSTen_US
dc.subject2019 Theoretical and Applied Physics Masters Thesesen_US
dc.subjectMahadi Rabiatuen_US
dc.subjectDr. Okikiola Olaniyanen_US
dc.subjectDr. Abdulhakeem Belloen_US
dc.titleStructural and electronic properties of a two-dimensional hybrid system of graphene and hexagonal boron nitride: A first-principles studyen_US
dc.typeThesisen_US


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  • Theoretical and Applied Physics55

    This collection contains selected research work by Theoretical and Applied Physics Students at the master's level, from 2009-2022.

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