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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...
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| Опубликовано в: : | Sci Rep |
|---|---|
| Главные авторы: | , , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Nature Publishing Group UK
2020
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| Предметы: | |
| Online-ссылка: | 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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