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Vacancy and Doping States in Monolayer and bulk Black Phosphorus
The atomic geometries and transition levels of point defects and substitutional dopants in few-layer and bulk black phosphorus are calculated. The vacancy is found to reconstruct in monolayer P to leave a single dangling bond, giving a negative U defect with a +/− transition level at 0.24 eV above t...
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| Publicado no: | Sci Rep |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4585662/ https://ncbi.nlm.nih.gov/pubmed/26383634 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep14165 |
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