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Graphene-Hexagonal Boron Nitride Work Function Response to Uniform Planar Deformations: An ab initio DFT Study

dc.contributor.authorJesutofunmi, Ayo Fajemisin
dc.date.accessioned2021-08-13T14:15:59Z
dc.date.available2021-08-13T14:15:59Z
dc.date.issued2021-04-23
dc.identifier.urihttp://repository.aust.edu.ng/xmlui/handle/123456789/4988
dc.description.abstractA two-dimensional hybrid material with graphene and hexagonal boron (h-BN) domain is considered as viable material for future generations of flexible electronic devices due to the tunable band gap, excellent mechanical and thermal properties. There is a growing interest that this hybrid material could be used for low contact barrier electrodes and various field emitting devices yet no report till date as presented the work function of the material. Tuning the work function is a known approach to reduce the contact barriers and obtain electrodes with low contact resistance. In this work, we calculated, using density functional theory, the stability, band gap, and work function of a 2D hybrid material in which graphene (h-BN) is embedded h BN (graphene). We achieved band gap tuning by varying the graphene (h-BN) domain in h-BN (graphene), while the work function was engineered by applying uniform strains to the most stable form of the hybrid material. The cohesive energy results show that the hybrids are stable with respect to pristine h-BN.en_US
dc.description.sponsorshipAUSTen_US
dc.language.isoenen_US
dc.subjectJesutofunmi Ayo Fajemisinen_US
dc.subjectDr. Abdulhakeem Belloen_US
dc.subject2020 Theoretical and Applied Physics Thesesen_US
dc.titleGraphene-Hexagonal Boron Nitride Work Function Response to Uniform Planar Deformations: An ab initio DFT Studyen_US
dc.typeThesisen_US


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  • Theoretical and Applied Physics53

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

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