Effects of Vacancy Defects on Electrical and Optical Properties of ZnO/WSe<sub>2</sub> Heterostructure: First-Principles Study
In this work, based on the first principles calculation of density functional theory (DFT), we studied the band structure changes of monolayer ZnO and ZnO/WSe<sub>2</sub> before and after vacancy generation, and systematically studied the vacancy formation energy, band structure, density...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
|
| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/12/11/1975 |