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Charge doping in graphene on thermodynamically preferred BiFeO3(0001) polar surfaces

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Abstract

For graphene/ferroelectric hybrid structures, the atomistic and electronic details of the interfaces are of crucial importance for charge doping in graphene. In this paper, we choose thermodynamically stable BiFeO3(0001) surfaces to explore the adsorption behavior and charge doping effect in a graphene/BiFeO3 system. By performing first-principles calculations, we find that both the adsorption behavior and charge doping effect show distinct characteristics for graphene adsorbed on the oppositely polarized BiFeO3(0001) surfaces. We predict that n-type doping and p-type charge doping occur in graphene on the positive and negative BiFeO3(0001) surfaces, respectively. The carrier density is estimated to be 1013 cm−2 orders of magnitude. Our results reveal that the graphene/BiFeO3 hybrid system is an intriguing candidate to make graphene-based field-effect transistors, whose p–n junctions can be made by patterning the domain structure of the BiFeO3 substrate. Moreover, the graphene/BFO hybrid structure may display an outstanding photovoltaic effect due to the combination of the bulk photovoltaic effect of the BFO substrate and the optical transparency of the graphene electrode.

Graphical abstract: Charge doping in graphene on thermodynamically preferred BiFeO3(0001) polar surfaces

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Publication details

The article was received on 14 Sep 2017, accepted on 09 Nov 2017 and first published on 09 Nov 2017


Article type: Paper
DOI: 10.1039/C7CP06280J
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Charge doping in graphene on thermodynamically preferred BiFeO3(0001) polar surfaces

    J. Dai, X. Li and J. Xu, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP06280J

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