1. 非金属元素 (F, S, Se, Te) 掺杂对 ZnO/graphene 肖特基界面电荷及 肖特基调控的理论研究.
- Author
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庞国旺, 刘晨曦, 潘多桥, 史蕾倩, 张丽丽, 雷博程, 赵旭才, 黄以能, and 汤 哲
- Subjects
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SCHOTTKY barrier , *VAN der Waals forces , *HETEROJUNCTIONS , *ELECTRONIC structure , *ELECTRIC fields , *SURFACE charges , *OHMIC contacts - Abstract
In this paper, the effects of F, S, Se and Te doping on the interfacial interaction and electronic structure of ZnO/graphene heterojunctions were systematically studied based on first-principles. The results show that the ZnO/graphene heterojunction layers are bonded by van der Waals force to form a stable heterojunction and an n-type Schottky barrier. The differential charge density diagram shows that the electrons of the graphene layer transfer to the ZnO layer, making the surface of the graphene layer positively charged and the surface of the ZnO layer negatively charged, forming a built-in electric field at the interface. When F atoms are added, the heterojunction presents ohmic contact. When S, Se and Te atoms are added, the contact types of the heterojunction Schottky change from n type to p type, and the height of the Schottky barrier effectively reduces, especially after Te atom is added, the height of the p type Schottky barrier reduces to 0. 48 eV, which improves the electron injection efficiency. The research results of this paper will provide reference for the design and manufacture of related. [ABSTRACT FROM AUTHOR]
- Published
- 2022