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...

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Detalles Bibliográficos
Autores principales: Wang, Weidong, Bai, Liwen, Yang, Chenguang, Fan, Kangqi, Xie, Yong, Li, Minglin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5848915/
https://www.ncbi.nlm.nih.gov/pubmed/29385028
http://dx.doi.org/10.3390/ma11020218

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