Strain engineering the electronic properties of the type-II CdO/MoS2 van der Waals heterostructure

被引：12
|
作者：
Yan, Zheng-Hua [1 ]
Zhang, Yan [1 ]
Qiao, Hui [1 ]
Duan, Li [1 ]
Ni, Lei [1 ]
机构：
[1] Changan Univ, Sch Mat Sci & Engn, Xian 710061, Shaanxi, Peoples R China
来源：
THIN SOLID FILMS | 2023年 / 764卷
关键词：
Van der Waals heterostructure; Structural stability; Electronic property; Band edge alignment; Strain engineering; First -principles calculation; WATER; PHOTOLUMINESCENCE; NANOSHEETS; STRATEGY;
D O I：
10.1016/j.tsf.2022.139626
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The structural stability, electronic properties, band edge alignment and photocatalytic water splitting charac-teristics of the CdO/MoS2 heterostructure have been systematically investigated by first-principles calculations. The results show that the CdO/MoS2 heterostructure is a stable indirect bandgap (1.35 eV) semiconductor with a type-II band alignment and a large built-in electric field pointing from MoS2 to CdO, which greatly hinders the recombination of photogenerated carriers. Meanwhile, the CdO/MoS2 heterostructure with large carrier mobility can withstand the large biaxial strains. The band edge positions of the CdO/MoS2 heterostructure can be modulated by biaxial strain engineering. These results provide a theoretical basis for the application of the CdO/ MoS2 heterostructure in photovoltaic and other electronic devices.
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收藏
页数：7
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