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Computational Study of Electronic and Thermoelectric Properties of ZnO/Graphene Heterostructures

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Abstract

ZnO/Graphene heterostructures combine the unique properties of graphene and zinc oxide. The advantages of this combination allow the development of various photoelectric devices that have exhibited excellent performance and attracted increasing interest. In this work, we investigated the structural, electronic, and thermoelectric properties of graphene (G), zinc oxide (ZnO) and ZnO/Graphene (ZnO/G) heterostructures. We considered two configurations, graphene on the Zn-terminated surface (ZnO_Zn_G) and on the O-terminated surface (ZnO_O_G). We started by the electronic properties of G, ZnO and ZnO/G heterostructures using the first-principles calculations. We detected the changes in the density of states for ZnO_Zn_G and ZnO_O_G. After, we used Boltzmann transport theory to calculate the thermoelectric properties of G, ZnO and ZnO/G heterostructures. Seebeck coefficient, electrical conductivity and power factor of G, ZnO, and ZnO/G heterostructures are calculated.

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  1. Laboratory of Physics of Materials and Nanomaterials Applied To Environment, Faculty of Sciences of Gabes, University of Gabes, 6072, Erriadh City, Zrig, Gabes, Tunisia

    M. Kaddes & M. Zemzemi

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  1. M. Kaddes
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Kaddes, M., Zemzemi, M. Computational Study of Electronic and Thermoelectric Properties of ZnO/Graphene Heterostructures. Int J Thermophys 42, 100 (2021). https://doi.org/10.1007/s10765-021-02854-5

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