First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects
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...
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MDPI AG
2025-07-01
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| author | Zhe Zhang Jiahui Li Xiaopei Xu Guodong Shi |
| author_facet | Zhe Zhang Jiahui Li Xiaopei Xu Guodong Shi |
| author_sort | Zhe Zhang |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-45c31f9ea8cd456497de8f7e2700db46 |
| institution | DOAJ |
| issn | 2079-4991 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj-art-45c31f9ea8cd456497de8f7e2700db462025-08-20T03:02:56ZengMDPI AGNanomaterials2079-49912025-07-011515117410.3390/nano15151174First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field EffectsZhe Zhang0Jiahui Li1Xiaopei Xu2Guodong Shi3School of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, ChinaSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, ChinaSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, ChinaSchool of Physics and Advanced Energy, Henan University of Technology, Zhengzhou 450001, ChinaConstructing 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.https://www.mdpi.com/2079-4991/15/15/1174Gr/Janus MoSSe heterojunctionSchottky-to-Ohmic transitionelectric field modulationInterface charge transfertwo-dimensional materials |
| spellingShingle | Zhe Zhang Jiahui Li Xiaopei Xu Guodong Shi First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects Nanomaterials Gr/Janus MoSSe heterojunction Schottky-to-Ohmic transition electric field modulation Interface charge transfer two-dimensional materials |
| title | First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects |
| title_full | First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects |
| title_fullStr | First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects |
| title_full_unstemmed | First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects |
| title_short | First-Principles Study on the Modulation of Schottky Barrier in Graphene/Janus MoSSe Heterojunctions by Interface Contact and Electric Field Effects |
| title_sort | first principles study on the modulation of schottky barrier in graphene janus mosse heterojunctions by interface contact and electric field effects |
| topic | Gr/Janus MoSSe heterojunction Schottky-to-Ohmic transition electric field modulation Interface charge transfer two-dimensional materials |
| url | https://www.mdpi.com/2079-4991/15/15/1174 |
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