1. Layered heterostructures based on graphene, hexagonal zinc oxide and molybdenum disulfide: Modeling of geometry and electronic properties
- Author
-
Leonid A. Chernozatonskii, Pavel B. Sorokin, and Alexander G. Kvashnin
- Subjects
Materials science ,General Computer Science ,Band gap ,General Physics and Astronomy ,Nanotechnology ,02 engineering and technology ,Electronic structure ,01 natural sciences ,law.invention ,chemistry.chemical_compound ,law ,0103 physical sciences ,Monolayer ,General Materials Science ,010306 general physics ,Molybdenum disulfide ,Graphene oxide paper ,Graphene ,Doping ,Heterojunction ,General Chemistry ,021001 nanoscience & nanotechnology ,Computational Mathematics ,chemistry ,Mechanics of Materials ,0210 nano-technology - Abstract
Here we present a comprehensive investigation of novel composite layered structures based on graphene, molybdenum disulfide (MoS 2 ) monolayers and hexagonal zinc oxide (ZnO), which display promising optical and electronic properties for photovoltaic applications. Theoretical study of the atomic structure, optical and electronic properties of proposed ZnO/MoS 2 and G/MoS 2 /ZnO/G nanostructures were carried out. We show that making the G/MoS 2 /ZnO/G heterostructure leads to high doping ratio of graphene layers and zero band gap which allows a conclusion of the possibility of using such structures in photovoltaic applications, due to broad energetic region of high electronic density of states.
- Published
- 2018