Ab initio study of the structural and electronic properties of Niobium Sulfide (NbS 2 ) and Lithium Niobium Sulfide (LiNbS 2 ) bulk and (001) surfaces

In the context of the discovery of new materials, an intercalation of Lithium (Li) atoms among layers of NbS2 can be performed. However, there are just a few experimental works and references that deal with this material. Recently, Damien Voiry from Institut Européen des Membranes in France, has per...

• Κύριος συγγραφέας: Vega Bazantes, Jorge David (author)
• Μορφή: bachelorThesis
• Γλώσσα: eng
• Έκδοση: 2020
• Θέματα: Teoría del funcional de la densidad; Materiales en capas; Intercalación; Di-calcogenuros; Estructura electrónica; Density-functional theory; Layered materials; Intercalation; Di-chalcogenides; Electronic-structure
• Διαθέσιμο Online: http://repositorio.yachaytech.edu.ec/handle/123456789/272