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

被引：8

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.

引用

页数：7

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