First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects.

Zhe Zhang, Jiahui Li, Xiaopei Xu, Guodong Shi

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Article in Nanomaterials (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 authors.

Zhe ZhangSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, China.ORCID 0009-0007-1150-7324

Jiahui LiSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, China.

Xiaopei XuSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, China.

Guodong ShiSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, China.ORCID 0000-0002-8240-0336

Funding

Key Scientific Research Project Plan of Colleges and Universities in Henan Province 23A140009National Natural Science Foundation Cultivation Project of Henan University of Technology 2024PYJH058National Natural Science Foundation of China 22409053Natural Science Foundation of Henan 242300420544Natural Science Foundation of Henan 242300421442the Talent Introduction Fund at Henan University of Technology 2021BS003the Talent Introduction Fund at Henan University of Technology 2021BS020

6 · The paper itself

Abstract

Constructing heterojunctions can combine the superior performance of different two-dimensional (2D) materials and eliminate the drawbacks of a single material, and modulating heterojunctions can enhance the capability and extend the application field. Here, we investigate the physical properties of the heterojunctions formed by the contact of different atom planes of Janus MoSSe (JMoSSe) and graphene (Gr), and regulate the Schottky barrier of the Gr/JMoSSe heterojunction by the number of layers and the electric field. Due to the difference in atomic electronegativity and surface work function (WF), the Gr/JSMoSe heterojunction formed by the contact of S atoms with Gr exhibits an n-type Schottky barrier, whereas the Gr/JSeMoS heterojunction formed by the contact of the Se atoms with Gr reveals a p-type Schottky barrier. Increasing the number of layers of JMoSSe allows the Gr/JMoSSe heterojunction to achieve the transition from Schottky contact to Ohmic contact. Moreover, under the control of an external electric field, the Gr/JMoSSe heterojunction can realize the transition among n-type Schottky barrier, p-type Schottky barrier, and Ohmic contact. The physical mechanism of the layer number and electric field modulation effect is analyzed in detail by the change in the interface electron charge transfer. Our results will contribute to the design and application of nanoelectronics and optoelectronic devices based on Gr/JMoSSe heterojunctions in the future.

Indexed as

electric field modulationGr/Janus MoSSe heterojunctionInterface charge transferSchottky-to-Ohmic transitiontwo-dimensional materials

Identifiers

PMID40801713

DOI10.3390/nano15151174

PMCPMC12348557

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