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N. KOUAYDI1, M. KADDES1, M. ZEMZEMI1,*
- Laboratory of Physics of Materials and Nanomaterials applied to Environment, Faculty of Sciences of Gabes, University of Gabes, Erriadh City, Zrig, 6072 Gabes, Tunisia
Structural and electronic properties of the zinc oxide and the carbon were investigated using first-principle approaches. This work aims to follow the relative stability between wurtzite and graphitic structures of ZnO at a thickness of four layers. Our results prove that the graphitic structure becomes more stable. To validate our study in the passage between mono and multilayer in graphitic ZnO, we have conducting a parallel study on graphene and graphite. The ZnO structures are found to be semiconductor with a direct band gap. The energy band gap increase from wurtzite to graphitic structure by increasing the number of layers..
Graphitic ZnO, ZnO monolayer, Graphene; graphitic structure, Density functional theory (DFT), Electronic properties.
Submitted at: Sept. 24, 2020
Accepted at: Oct. 7, 2021
N. KOUAYDI, M. KADDES, M. ZEMZEMI, Ab initio comparative study of structural and electronic properties of mono- and multi-layer graphene and graphitic ZnO, Journal of Optoelectronics and Advanced Materials Vol. 23, Iss. 9-10, pp. 488-496 (2021)
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