Electronic Properties of Nitrogene/MoSe2 Heterobilayers |
| Rui Li
College of Physics and Electronic Information, Luoyang Normal University, Luoyang, 471022, People's Republic of China |
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| Stacking two-dimensional crystals into van der Waals heterojunctions has recently generated enormous interest because of their novel applications in high-performance photovoltaic nanomaterials. In this paper, the electronic properties of a heterobilayer constructed with nitrogene on MoSe2, denoted as nitrogene/MoSe2 HBL, are studied based on the first-principles calculation. It is found that the electronic band spectrum of the nitrogene/MoSe2 HBL is simply the combination of pristine nitrogene and MoSe2 monolayer owing to the weak van der Waals interaction. As the vertical distance decreases, the charge redistribution in the interlayer space of the heterojunctions induces a transformation from the indirect electronic band gap of the nitrogene/MoSe2 HBL towards a direct band gap. The study of the two-dimensional ultrathin nitrogene/MoSe2 HBL is expected to show its potential in designing and fabricating a new generation of optoelectronic devices. |
DOI:10.12693/APhysPolA.140.204 topics: electronic properties, heterobilayer, van der Waals interaction, vertical distance |