Strain-tunable electronic structure and anisotropic transport properties in Janus MoSSe and g-SiC van der Waals heterostructure

The van der Waals heterostructures (vdWHs) create a multi-purpose platform to design unique structures for efficient photovoltaic and optoelectronic applications. In this study, on the basis of the first-principles calculations, we present a type-II semiconducting MoSSe/g-SiC vdWH with a moderate ba...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2021-04, Vol.23 (15), p.944-9447
Main Authors: Liu, Yu-Liang, Zhao, Wen-Kai, Shi, Ying, Yang, Chuan-Lu
Format: Article
Language:English
Subjects:
Charge transfer
Conduction bands
Electromagnetic absorption
Electronic structure
Energy gap
First principles
Heterostructures
Interlayers
Nanotechnology devices
Optoelectronics
Photovoltaic cells
Tensile strain
Transport properties
Valence band
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Summary:The van der Waals heterostructures (vdWHs) create a multi-purpose platform to design unique structures for efficient photovoltaic and optoelectronic applications. In this study, on the basis of the first-principles calculations, we present a type-II semiconducting MoSSe/g-SiC vdWH with a moderate bandgap value of 1.31 eV. In particular, the large conduction band offset of 1.18 eV and valence band offset of 0.90 eV are distinguished, which can act as powerful driving forces to promote interlayer charge transfer. Moreover, MoSSe/g-SiC vdWH possesses high carrier mobilities and anisotropic transport properties with a larger transport current along the zigzag direction. More importantly, tensile strain can transform indirect into direct band gap and enhance the visible-light absorption while sustaining type-II band alignment. These results reveal the new physical nature of MoSSe/g-SiC vdWH and demonstrate its practical application potential in photovoltaics and optoelectronic nanodevices. The MoSSe/g-SiC heterostructure with tunable band alignment and anisotropic electronic transport offers opportunities for achieving promising applications in photovoltaic and optoelectronic devices.
ISSN:1463-9076
1463-9084
DOI:10.1039/d1cp00483b