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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Janus MoSH/WSi2N4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact

by
Yongdan Wang
1,2,†,
Xiangjiu Zhu
1,3,†,
Hengshuo Zhang
1,
Shitong He
1,
Ying Liu
1,
Wenshi Zhao
1,
Huilian Liu
1,* and
Xin Qu
1,*
1
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Jilin Normal University, Changchun 130103, China
2
School of Foreign Languages, Jilin Normal University, Siping 136000, China
3
State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
*
Authors to whom correspondence should be addressed.
†
These authors contributed equally to this work.
Molecules 2024, 29(15), 3554; https://doi.org/10.3390/molecules29153554 (registering DOI)
Submission received: 4 June 2024 / Revised: 22 July 2024 / Accepted: 22 July 2024 / Published: 28 July 2024
(This article belongs to the Special Issue Materials Chemistry in China—Second Edition)
Versions Notes

Abstract

Abstract: Constructing heterostructures from already synthesized two-dimensional materials is of significant importance. We performed a first-principles study to investigate the electronic properties and interfacial characteristics of Janus MoSH/WSi2N4 van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSi2N4 and MoHS/WSi2N4 has extremely low Schottky barrier heights (SBHs). Due to its excellent charge injection efficiency, Janus MoSH may be regarded as an effective metal contact for WSi2N4 semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSi2N4 vdWHs can not only reduce/eliminate SBH, but also forms the transition from p-ShC to n-ShC type and from Schottky contact (ShC) to Ohmic contact (OhC) through the layer spacing and electric field. Our results can offer a fresh method for optoelectronic applications based on metal/semiconductor Janus MoSH/WSi2N4 vdW heterostructures, which have strong potential in optoelectronic applications.
Keywords: two-dimensional heterostructures; first-principles calculations; electronic properties; electrical contact two-dimensional heterostructures; first-principles calculations; electronic properties; electrical contact

Share and Cite

MDPI and ACS Style

Wang, Y.; Zhu, X.; Zhang, H.; He, S.; Liu, Y.; Zhao, W.; Liu, H.; Qu, X. Janus MoSH/WSi2N4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact. Molecules 2024, 29, 3554. https://doi.org/10.3390/molecules29153554

AMA Style

Wang Y, Zhu X, Zhang H, He S, Liu Y, Zhao W, Liu H, Qu X. Janus MoSH/WSi2N4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact. Molecules. 2024; 29(15):3554. https://doi.org/10.3390/molecules29153554

Chicago/Turabian Style

Wang, Yongdan, Xiangjiu Zhu, Hengshuo Zhang, Shitong He, Ying Liu, Wenshi Zhao, Huilian Liu, and Xin Qu. 2024. "Janus MoSH/WSi2N4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact" Molecules 29, no. 15: 3554. https://doi.org/10.3390/molecules29153554

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