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Issue 41, 2015
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Fluorographane: a promising material for bipolar doping of MoS2

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Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n- to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials.

Graphical abstract: Fluorographane: a promising material for bipolar doping of MoS2

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Publication details

The article was received on 28 Jul 2015, accepted on 25 Sep 2015 and first published on 25 Sep 2015

Article type: Paper
DOI: 10.1039/C5CP04438C
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Phys. Chem. Chem. Phys., 2015,17, 27636-27641

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    Fluorographane: a promising material for bipolar doping of MoS2

    D. Çakır and F. M. Peeters, Phys. Chem. Chem. Phys., 2015, 17, 27636
    DOI: 10.1039/C5CP04438C

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