First Principles Study of the Photoelectric Properties of Alkaline Earth Metal (Be/Mg/Ca/Sr/Ba)-Doped Monolayers of MoS<sub>2</sub>

First Principles Study of the Photoelectric Properties of Alkaline Earth Metal (Be/Mg/Ca/Sr/Ba)-Doped Monolayers of MoS<sub>2</sub>

The energy band structure, density of states, and optical properties of monolayers of MoS<sub>2</sub> doped with alkaline earth metals (Be/Mg/Ca/Sr/Ba) are systematically studied based on first principles. The results indicate that all the doped systems have a great potential to be forme...

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Bibliographic Details
Main Authors: Li-Zhi Liu, Xian-Sheng Yu, Shao-Xia Wang, Li-Li Zhang, Xu-Cai Zhao, Bo-Cheng Lei, Hong-Mei Yin, Yi-Neng Huang
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:Molecules
Subjects:
alkaline earth metals
MoS<sub>2</sub>
first principles
electronic structure
optical properties
Online Access:https://www.mdpi.com/1420-3049/28/16/6122

Internet

https://www.mdpi.com/1420-3049/28/16/6122

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