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Issue 26, 2018
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Strain tuned InSe/MoS2 bilayer van der Waals heterostructures for photovoltaics or photocatalysis

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Abstract

The isolation of different two-dimensional materials and the possibility to combine them in vertical stacks have led to new material systems, namely heterostructures based on two-dimensional crystals. By using density functional theory, we found that the InSe/MoS2 bilayer shows an indirect band gap of 0.65 eV with optical absorption over a wide range (300–800 nm) and a preferable separation of photogenerated electron–hole pairs. Moreover, the band gap can be readily tuned by external strain engineering, leading to a transition from the indirect band gap to a direct band gap of 1.55 eV under 7% compressive strain, where there is an enhanced and continuous spectrum. In addition, under a tensile strain of 9%, the bilayer is metallic. All of these properties enable the development of excellent photoelectric devices from the heterostructures with strain engineering.

Graphical abstract: Strain tuned InSe/MoS2 bilayer van der Waals heterostructures for photovoltaics or photocatalysis

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Supplementary files

Article information


Submitted
11 May 2018
Accepted
25 May 2018
First published
26 May 2018

Phys. Chem. Chem. Phys., 2018,20, 17574-17582
Article type
Paper

Strain tuned InSe/MoS2 bilayer van der Waals heterostructures for photovoltaics or photocatalysis

J. Zhang, X. Y. Lang, Y. F. Zhu and Q. Jiang, Phys. Chem. Chem. Phys., 2018, 20, 17574
DOI: 10.1039/C8CP02997K

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