Electronic and optical properties of defective MoSe2 repaired by halogen atoms from first-principles study
Using first-principles calculations, we have investigated the electronic and optical properties of MoSe2 with Se vacancies (SVSe, α-DVSe, and β-DVSe) and further repaired by halogen atoms (F, Cl, Br and I). For the MoSe2 with Se vacancies, Cl, Br and I atoms can occupy the Se vacancies and form thre...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2019-02-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5068712 |