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The Electronic Properties of O-Doped Pure and Sulfur Vacancy-Defect Monolayer WS(2): A First-Principles Study
Based on the density functional theory (DFT), the electronic properties of O-doped pure and sulfur vacancy-defect monolayer WS(2) are investigated by using the first-principles method. For the O-doped pure monolayer WS(2), four sizes (2 × 2 × 1, 3 × 3 × 1, 4 × 4 × 1 and 5 × 5 × 1) of supercell are d...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5848915/ https://www.ncbi.nlm.nih.gov/pubmed/29385028 http://dx.doi.org/10.3390/ma11020218 |