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Tuning electronic and optical properties of monolayer PdSe(2) by introducing defects: first-principles calculations
Based on the density functional theory, the electronic and optical properties of pristine monolayer PdSe(2) with Pd or Se vacancy-defect are investigated. Our results show that the Se defect is energetically more favorable than that of Pd defect. The band gap reduces, and some new midgap states appe...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | Sci Rep |
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| Κύριοι συγγραφείς: | , , , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
Nature Publishing Group UK
2020
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7055301/ https://ncbi.nlm.nih.gov/pubmed/32132623 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-60949-9 |
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