Computational approach to the study of the structure-properties relationship in 2D materials

This work is focused on the study of the structures and properties of black phosphorus and its monolayer substructure called phosphorene. The study comprises three main sections: a study of the formation of red phosphorus starting from white phosphorus to understand the polymerization mechanism, a s...

• מחבר ראשי: Lasluisa Morocho, Héctor Ronaldo (author)
• פורמט: bachelorThesis
• שפה: eng
• יצא לאור: 2025
• נושאים: Semiconductores; Teoría del Funcional de Densidad; Semiconductors; Density-functional theory
• גישה מקוונת: http://repositorio.yachaytech.edu.ec/handle/123456789/970